Course Structure

Introduction

While providing dedicated subject-specific learning, our Chemistry degrees strongly emphasise opportunities to develop generic problem-solving and reflective-working practices applicable to a range of career paths and patterns of employability.

Many of the elements of the BSc are in common with the MChem programme, and allow students to transfer between the two pathways, subject to meeting the appropriate programme requirements.

All degrees are modular, with six modules each year. All provide a thorough training in the main subject areas (Analytical, Inorganic, Organic and Physical Chemistry) through compulsory core modules which offer in-depth study of these areas.

Stage 1

In the first semester Chemistry students study a common programme with the Chemical Engineers, giving them an understanding of how the two subjects relate to each other and an opportunity to transfer if they decide they are better suited to the other discipline (subject to transfer requirements). Key to this is a course structure permitting students to study both introductory Chemistry and Chemical Engineering.

In the second semester Chemistry students continue on the modules which cover the fundamental subject areas of Chemistry: Analytical, Inorganic, Organic and Physical Chemistry.

Stage 1 courses are outlined below:



Organic Chemistry Level 1
Inorganic Chemistry 1
Physical Theory 1
Introductory Mathematics for Chemists and Engineers
Introduction to Chemical Products and Processes

Stage 2

Students are required to take six modules of chemistry, designed to extend their knowledge of the traditional subject areas of analytical, inorganic, organic and physical chemistry, in addition to introducing aspects of applied chemistry, spectroscopy and theoretical chemistry. Each of the modules contain both practical and coursework components allowing students to develop, practice and demonstrate a wide range of professional skills.

Stage 2 courses are outlined below:

Structural Chemistry
Quantum Theory, Spectroscopy and Bonding
Organic Chemistry 2
Inorganic Chemistry 2
Physical Chemistry 2
Industrial and Green Chemistry

Stage 3

Placement Year
Students spend their third year in an overseas academic institution then return to Queen's for a final year of study.

Stage 4

Stage 4 courses are outlined below:
Chemical Research Project

Stage 4 optional modules (3 out of 5 required):
Advanced Organic Chemistry
Advanced Inorganic Chemistry
Advanced Physical Chemistry
Options in Applied, Technical and Macromolecular Chemistry
Frontiers in Drug Development

Different pathways in the discipline of Chemistry offer other opportunities to specialise. The specialist pathways available consist of additional elements which are detailed below:


BSc Chemistry with a Year in Industry:
Students spend their third year working in industry - subject to the availability of a suitable placement - then return to Queen's for a final year of study.

MChem Chemistry with a Year in Industry:
Students spend their fourth year working in industry - subject to the availability of a suitable placement - then return to Queen's for a final year of study.

BSc Medicinal Chemistry:
Students take modules which include Biochemistry, Genetics and Medicinal Chemistry, and undertake a medicinal or biological project.
There are also BSc Medicinal Chemistry with a Year in Industry, MChem Medicinal Chemistry and MChem Medicinal Chemistry with a Year in Industry courses.

Contact Teaching Hours

Personal Study

24 (hours maximum)
22–24 hours studying and revising in your own time each week, including some guided study using handouts, online activities, etc.

Small Group Teaching/Personal Tutorial

2 (hours maximum)
2 hours of tutorials (or later, project supervision) each week

Medium Group Teaching

6 (hours maximum)
6 hours of practical classes or workshops each week; laboratory hours will increase as more project work is undertaken at Levels 3-4 (as applicable)

Large Group Teaching

7 (hours maximum)
7 hours of lectures or seminars; (similar learning outcomes in the Study Abroad institution should apply to all categories)

Learning and Teaching

At Queen’s, we aim to deliver a high-quality learning environment that embeds intellectual curiosity, innovation and best practice in learning, teaching and student support to enable student to achieve their full academic potential.

On the MChem Chemistry with Study Abroad we do this by providing a range of learning experiences which enable our students to engage with subject experts and develop attributes and perspectives that will equip them for life and work in a global society. We make use of innovative technologies and a world class library to enhance their development as independent, lifelong learners.

Examples of the opportunities provided for learning on this course are:

Directed self-study

This is an essential part of life as a Queen’s student when important private reading, preparation for seminars / tutorials, writing of laboratory reports can be completed. You are encouraged to undertake private reflection on feedback, and at the later stages undertake independent research using the primary literature to support project work and critically review taught course material.

E-Learning technologies

Information associated with lectures and assignments is typically communicated via a Virtual Learning Environment (VLE) called Canvas. Opportunities to use IT programmes associated with data manipulation and presentation are embedded in the practicals and the project- based work.

Lectures

Introduce basic information about new topics as a starting point for further directed private study/reading. Lectures also provide opportunities to ask questions, gain some feedback and advice on assessments (normally delivered in large groups to all year group peers).

Personal Tutor

Undergraduates are allocated a Personal Tutor during Level 1 and 2 who meets with them on several occasions during the year to support their academic and professional development through the discussion of selected topics.

Practicals

These are essential to the training in this laboratory based subject area. You will have opportunities to develop technical skills and apply theoretical principles to real-life or practical contexts. Most of the core taught modules at Stages 1 and 2 have practical components associated with them, whilst stage 4 has a triple - weighted practical module (Chemistry Research Project). Typically at stage 1 you would be in the lab for two afternoons and in stages 2 and 4 it is two full days a week.

Seminars/tutorials

Significant amounts of teaching are carried out in small groups (typically 6-10 students). These provide an opportunity for students to engage with academic staff who have specialist knowledge of the topic, to ask questions of them and to assess their own progress and understanding with the support of peers. You should also expect to make presentations and other contributions to these groups as well as using them as a route to providing individual feedback.

Supervised projects

In the final year, you will be expected to carry out a significant piece of research on a topic or practical methodology that you have chosen. You will receive support from a supervisor who will guide you in terms of how to carry out your research. The supervisor and a second academic member of staff will formally meet, interview and review the work at the half way stage, and then provide support in the write up stage, although weekly contact is anticipated in most projects within the School.

Assessment

Details of assessments are associated with this course are outlined below:

• The way in which you are assessed will vary according to the Learning objectives of each module. Some modules are assessed solely through project work or written assignments. Others are assessed through a combination of coursework and end of semester examinations. Details of how each module is assessed are shown in the Student Handbook which is provided to all students through the VLE.

Feedback

As students progress through their course at Queen’s they will receive general and specific feedback about their work from a variety of sources including lecturers, module co-ordinators, placement supervisors, personal tutors, advisers of study and peers. University students are expected to engage with reflective practice and to use this approach to improve the quality of their work. Feedback may be provided in a variety of forms including:

• Feedback provided via formal written comments and marks relating to work that you, as an individual or as part of a group, have submitted.
• Face to face comments. This may include occasions when you make use of the lecturers’ advertised “office hours” to help you to address a specific query.
• Placement employer comments or references.
• Online or emailed comments.
• General comments or question and answer opportunities at the end of a lecture, seminar or tutorial.
• Pre-submission advice regarding the standards you should aim for and common pitfalls to avoid. In some instances, this may be provided in the form of model answers or exemplars which you can review in your own time.
• Feedback and outcomes from practical classes.
• Comments and guidance provided by staff from specialist support services such as, Careers, Employability and Skills or the Learning Development Service.

Modules

• Year 1

  Core Modules

  Physical Chemistry 1 (20 credits)

  ×

  Physical Chemistry 1

  Overview

  Chemical Equilibria (8 hours lectures, 2 hour seminar):
  1.1 Units and dimensional analysis: mass, moles and mole fraction. mass and concentration
  calculations
  1.2. Chemical Equilibria: Definitions and calculations involving equilibrium constants Kc and Kp, and
  the reaction quotient Q, including examples of homogeneous and heterogeneous equilibria
  (Ksp). Definitions and calculations involving enthalpy of reaction and solution and lattice energy.
  Application of Le Chatelier’s Principle to determine the effect of change in concentration,
  pressure, temperature and catalyst on the composition of the reaction mixture and the
  equilibrium constant. Solubility rules, precipitation and the Common Ion Effect.
  1.3. Acids and Bases: Definitions of conjugate acid and base; strong and weak acids and bases.
  Calculation of pH, pKa and pKb. The special case of water Kw and pKw Terminology in
  acid/base titrations, calculation of pH at the end point, and indicators. Definition of a buffered
  solution and calculation of its pH and on addition of acid or base. Examples of polyfunctional
  acids and their behaviour in titrations.
  
  Basic Thermodynamics, (12 hours lectures, 3 hours seminars):
  2.1. The zeroth and first laws of thermodynamics. Introduction to zeroth law of thermodynamics, the
  first law of thermodynamics, state function, standard conditions, enthalpy of formation.
  2.2. The direction of spontaneous change. Spontaneous vs non-spontaneous change. Entropy as
  criterion for spontaneous change. Reversible and irreversible processes. Classical and
  molecular basis of entropy.
  2.3. The second law of thermodynamics. Examples and calculations using standard entropies;
  entropy changes with volume, temperature, phase transitions and chemical reactions.
  2.4. Absolute entropy and the third law of thermodynamics.
  2.5. Chemical equilibrium: Gibbs energy and spontaneity, energy minimum, direction of chemical
  change and influence of enthalpy and entropy. Variation of Gibbs energy with temperature,
  pressure and concentration. Gibbs energy relationship with equilibrium and the equilibrium
  constant. Examples and calculations.
  2.6. Gibbs energy and phase equilibria. The thermodynamics of transition. Review of one
  component and two component phase diagrams. Liquid-liquid equilibria, phase separation,
  critical solution temperature, distillation of partially miscible liquids. Examples of extractions,
  separations and molecular interactions.
  
  Phase Equilibria (8 hours lectures, 2 hours seminars):
  3.1. States and Properties of Matter: States of matter, solutions, mixtures and colloids. Changes in
  state, heating and cooling curves and P-T phase diagrams. Material properties: ideal gas law,
  molar volume.
  3.2. Relating intermolecular forces and physical properties: ionic, dipole-dipole, London-dispersion
  forces, induced dipole, H-bonding (mpt, bpt, vapour pressure, volatility, surface tension).
  3.3. One Component Systems: Vapour pressure – temperature relationships: examples using the
  Clapeyron and Clausius-Clapeyron Equations, the Antoine Equation.
  3.4. Two-component systems (vapour-liquid equilibria of ideal systems): Raoult’s Law,
  Dalton’s Law applied to two component systems, mole fraction – Pressure diagrams (ideal and
  non-ideal systems relating to intermolecular forces) volatility and relative volatility,
  constant pressure diagrams (x,y and T-x,y) and the Lever rule.
  3.5. Introduction to non-ideal solutions: An azeotrope being a mixture that vaporizes and
  condenses without a change in composition; a eutectic being a mixture that freezes and
  melts without change of composition.
  3.6. Colligative properties: Relative lowering of vapour pressure, boiling point elevation
  and boiling point depression in binary solutions containing non -volatile solutes; osmotic
  pressure.

  Learning Outcomes

  On completion of this module a learner should be able to:
  
   Explain and use equations to describe chemical systems at equilibrium. A1.2, Level B, Point 3.
  A2.2 Level B, Point 3 and 4
   Describe the general principles of phase equilibria as applied to single and binary component
  systems. A1.2, Level B, Point 3. A2.2 Level B, Point 3 and 4
   Understand and apply the basic rules of chemical kinetics. A1.2, Level B, Point 3
   Describe and apply the general principles of the first and second laws of thermodynamics. A1.2,
  Level B, Point 3. A2.2 Level B, Point 3 and 4
   Describe equilibria of electrochemical cells and discuss applications of electrochemical theory.

  Skills

  Learners are expected to demonstrate the following on completion of the module:
   Basic thermodynamic, kinetic and electrochemistry knowledge.
   Thermodynamic and kinetic problem solving (including numerical)
   Communication – spoken during seminars and written in class tests and exam. A5.2, Level B, Point 2
   Numeracy – basic algebra and calculus.
   Improved independent learning and time management.
   Problem-solving – solving problems in seminars, quizzes and exams and seminars.

  Coursework

  20%

  Examination

  80%

  Practical

  0%

  Credits

  20

  Module Code

  CHM1202

  Teaching Period

  Autumn

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Mathematics for Chemists (10 credits)

  ×

  Mathematics for Chemists

  Overview

  Summary of Lecture Content:
   Lecture 1: Numbers, units, and scientific notation
   Lecture 2: Algebra and rearranging equations
   Lecture 3: Functions and graphing in Chemistry
   Lecture 4: Logarithms and exponentials in Chemistry
   Lecture 5: Differentiation: rates of change in Chemistry
   Lecture 6: Applications of differentiation in Chemistry
   Lecture 7: Integration: accumulation and area
   Lecture 8: Introduction to differential equations
   Lecture 9: Vectors and matrices in Chemistry
   Lecture 10: Complex numbers and their chemical applications
   Lecture 11: Statistics and error analysis
   Lecture 12: Revision and problem-solving strategies
  
  Summary of Workshop Content:
   Workshop 1: Algebra, functions, and graphing
   Workshop 2: Calculus in Chemistry
   Workshop 3: Matrices, vectors and statistics
   Workshop 4: Applied problem solving

  Learning Outcomes

  On completion of this module students should be able to:
   Apply numerical, algebraic, and graphical techniques to solve chemical problems, including
  unit conversions, scientific notation, and equation manipulation.
   Use logarithms, exponentials, and calculus to describe chemical processes such as pH,
  reaction kinetics, and thermodynamics.
   Differentiate and integrate functions to determine rates of change, accumulation, and reaction
  progress in chemistry.
   Solve basic differential equations relevant to chemical kinetics and equilibrium.
   Apply vectors, matrices, and complex numbers in quantum chemistry, molecular symmetry, and
  spectroscopy.
   Use statistical methods and error analysis to interpret experimental data, including regression
  and uncertainty calculations.

  Skills

  Students are expected to demonstrate the following on completion of the module:
   Ability to apply numerical, algebraic, and graphical methods to solve chemical problems.
   Ability to use calculus and differential equations in chemical kinetics, thermodynamics, and
  equilibria.
   Ability to apply vectors, matrices, and complex numbers in chemistry.
   Ability to analyse experimental data using statistical methods and error propagation.

  Coursework

  100%

  Examination

  0%

  Practical

  0%

  Credits

  10

  Module Code

  CHM1203

  Teaching Period

  Autumn

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Instrumental Methods of Analysis (10 credits)

  ×

  Instrumental Methods of Analysis

  Overview

  Summary of Lecture Content:
   Introduction to separations and chromatography
   Liquid Chromatography
   Gas Chromatography
   Infrared Spectroscopy
   Nuclear Magnetic Resonance
   Mass spectrometry
   Hyphenated analytical techniques
  
  Summary of Workshop Content:
   HPLC instrumentation
   HPLC method development
   NMR spectroscopy
   Mass spectrometry

  Learning Outcomes

  On completion of this module students should be able to:
   Understand the principles, instrumentation, and applications of chromatography, spectroscopy,
  and mass spectrometry.
   Explain the fundamentals of Liquid Chromatography (LC) and Gas Chromatography (GC),
  including key factors affecting separation efficiency.
   Interpret chromatographic, IR, NMR, and MS data to identify compounds and assess analytical
  performance.
   Compare the strengths, limitations, and applications of different instrumental techniques.
   Understand the advantages of hyphenated techniques (e.g., LC-MS, GC-MS).

  Skills

  Students are expected to demonstrate the following skills on completion of the module:
   Explain the principles and applications of key analytical techniques (LC, GC, NMR, IR, MS).
   Interpret chromatographic, IR, NMR, and MS data to identify compounds.
   Troubleshoot common issues in chromatography and spectroscopy.
   Evaluate analytical data for accuracy, precision, and reliability.
   Use software tools for spectral analysis and data interpretation.
   Communicate findings clearly in a scientific format.

  Coursework

  100%

  Examination

  0%

  Practical

  0%

  Credits

  10

  Module Code

  CHM1207

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Organic Chemistry 1 (20 credits)

  ×

  Organic Chemistry 1

  Overview

  INTRODUCTION TO ORGANIC REACTIVITY
  *Reading an organic reaction, recognition of nucleophiles and electrophiles
  *Role of mechanism in organic chemistry and the use of curly arrows
  *Nucleophilic substitution at saturated carbon
  *Elimination reactions
  *Alkene addition reaction
  
  CARBONYL CHEMISTRY AND ACIDITY
  *Develop an understanding of the pKa and pKaH scales.
  *Appreciate how the pKaH scale can be used to determine nucleophile strength and leaving group ability.
  *Reason through the factors that affect the stability of a conjugate base and appreciate how to use this knowledge to predict approximate pKa values and positions of equilibrium.
  *Understand factors that govern nucleophilic addition to the carbonyl group.
  *Understand the differences between acid and base catalysed mechanisms.
  *Understand factors that govern nucleophilic substitution at the carbonyl group.
  *Be able to predict whether a nucleophilic substitution to a carbonyl group is likely to proceed.
  *Appreciate the differences in reactivity of α,β-unsaturated carbonyl compounds
  *Understand the factors that control the regioselectivity of 1,2- vs 1,4-addition in such α,β-unsaturated systems
  *Understand the impact of kinetic and thermodynamic control in organic reactions.
  
  OXIDATION AND REDUCTION REDOX PROCESSES
  *Definition of REDOX processes.
  *Functional group interconversions based on REDOX processes.
  *Classes of oxidants including oxygen, ozone, N-oxides, peroxides, peroxyacids, transition metal and p-block elements in high oxidation states.
  *Classes of reductants including hydrogen, hydrides of boron and aluminium, and electropositive elements such as sodium and magnesium.
  
  AROMATICITY AND AROMATIC CHEMISTRY
  *The Huckel Rule of Aromaticity
  *The bonding in benzene: concepts of resonance, delocalisation and aromatic stabilisation.
  *Nomenclature of substituted aromatics.
  *Electrophilic Aromatic Substitution Reactions: mechanisms and prominent (name) reactions: nitration, halogenation, acylation, and alkylation.
  *Directing Effects in Electrophilic Aromatic Substitution Reactions.
  *Aromatic amines and diazonium salts: preparation and reactions of.
  *Electrophilic substitution of heteroaromatic compounds.
  *Diazotisation of aniline, Nucleophilic substitution of diazonium species. Preparation of phenols.
  *Synthesis and strategies in preparation of polysubstituted benzenes.

  Learning Outcomes

  On successful completion of this module students will:
  *Have a good working knowledge of the fundamental reactions and reagents of synthetic organic chemistry and of the chemistry of important, commonly encountered, organic functional groups.
  *Be capable of drawing basic organic reaction mechanisms and have a good awareness of key stereochemical principles and factors determining organic molecule reactivity.
  *Begin to develop an understanding of the pKa scale and its uses for understanding reactivity
  *Understand the fundamentals of carbonyl chemistry, particularly addition and substitution reactions
  *Understand what is required for an oxidation or reduction reaction to occur
  *Develop an understanding of the chemistry surrounding aromatic molecules

  Skills

  Learners are expected to demonstrate the following on completion of the module:
  *You will learn how to take good notes from lectures.
  *You will begin to understand the principles of mechanistic organic chemistry and ‘curly-arrow’ pushing and learn the basic language that we speak in the organic chemistry world.
  *You will understand the different mechanisms behind nucleophilic substitution, elimination, and alkene addition, and be able to reason products from given starting materials by suggesting a mechanism through which the transformation occurs
  *You will be able to estimate pKa values for protons in different environments
  *You will be able to predict whether a given carbonyl substitution reaction will be likely to proceed
  *You will determine the best reagents and conditions to choose to conduct an oxidation or reduction reaction of a given starting material
  *You will be able to reason through inductive and mesomeric effects of differing functional groups on an aromatic ring and their relative abilities to direct electrophilic aromatic substitution reactions to predict the products of a given reaction

  Coursework

  0%

  Examination

  80%

  Practical

  20%

  Credits

  20

  Module Code

  CHM1205

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Practical Skills for Chemistry 1 (10 credits)

  ×

  Practical Skills for Chemistry 1

  Overview

  Practical Classes Content (1 session of 1.5h, 10 sessions of 3h each, 4 sessions of 6h each)
  
  1. Purification of a Solid Organic Compound
  • Separation of an unknown compound from impurities using filtration and crystallization.
  • Vacuum and gravity filtration to remove insoluble impurities.
  • Melting point analysis to assess purity.
  2. Reduction of Benzophenone with Sodium Borohydride
  • Reduction of a ketone to an alcohol using sodium borohydride.
  • Thin Layer Chromatography (TLC) to monitor reaction progress and purity.
  • Crystallization and melting point analysis to purify and confirm product identity.
  3. Resolution of α-Phenylethylamine (α-Methylbenzylamine)
  • Separation of enantiomers via chiral resolution using (+)-tartaric acid.
  • Extraction and purification using a separating funnel, drying agents, and rotary evaporation.
  • Polarimetry to determine the enantiomeric purity of the resolved product.
  4. Synthesis of Triphenylmethyl Bromide
  • Nucleophilic substitution reaction mechanism to form triphenylmethyl bromide from triphenylmethanol.
  • Recrystallization and solvent testing to determine the optimal purification method.
  • Infrared spectroscopy and melting point analysis to assess product purity.
  5. Preparation of 3-Methyl-1-Butyl Ethanoate
  • Esterification reaction between 3-methylbutan-1-ol and acetic anhydride.
  • Reflux and distillation for reaction completion and product purification.
  • Extraction and drying using a separating funnel and drying agents to isolate the ester.
  6. Preparation of Paracetamol and Aspirin and Identification of Analgesics in Common Medications
  • Synthesis of active pharmaceutical ingredients through acylation reactions.
  • TLC to compare purity against commercial samples.
  • Recrystallization and melting point analysis to confirm product identity and purity.
  7. Reductive Amination
  • Formation of C-N bonds via reductive amination using sodium triacetoxyborohydride.
  • TLC to monitor reaction progress and optimize eluent ratio.
  • Recrystallization and melting point analysis to purify and confirm the final product.
  8. Synthesis of Acetanilide and 4-Bromoacetanilide
  • Electrophilic substitution reaction to prepare acetanilide and its brominated derivative.
  • TLC to confirm reaction completion and product identity.
  • Recrystallization and melting point analysis to purify and characterize the final product.
  9. Thermochromism in Metal Complexes
  • Observing colour changes in metal complexes due to temperature variations.
  • Synthesis of thermochromic nickel and copper complexes.
  • Use of vacuum filtration and fume-hood techniques for synthesis and purification.
  10. Lewis Acidity and 31P NMR Analysis
  • Investigating the interaction between Lewis acids and a phosphine oxide probe.
  • Synthesizing and analysing metal chloride adducts using NMR spectroscopy.
  • Quantifying Lewis acidity through chemical shift measurements.
  11. Solid State Chemistry - Thermite Process
  • Reduction of metal oxides using aluminium powder.
  • Extreme heat generation leading to molten iron and slag formation.
  • Observing solid-state reactions and physical property changes.
  12. Complexes of Cobalt
  • Synthesis of cobalt(II) complexes with different ligands.
  • Investigation of ligand effects on coordination number and bonding modes.
  • Infrared spectroscopy analysis to determine thiocyanate binding mode.
  13. Kinetic Study of Ester Hydrolysis
  • Hydrolysis of ethyl acetate in acidic solution.
  • Monitoring reaction progress via pH or spectrophotometry.
  • Determining reaction order from experimental data.
  14. Complexes of Cobalt
  • Investigating the formation of metal-ligand complexes, with a focus on iron(II) and bipyridine.
  • Determining the stoichiometry of iron(II) complexes using spectrophotometry.
  • Preparing and isolating a bipyridine-iron complex through a synthesis procedure.
  15. Practical Skills Assessment
  • Reaction setup and polarimetry to measure optical activity and handle analytical balances.
  • TLC to assess reaction progress and product purity.
  • Workup and purification using separating funnels, drying agents, and recrystallization. Melting point analysis to confirm compound purity and identity

  Learning Outcomes

  On completion of this module students should be able to:
   Apply fundamental organic chemistry techniques to synthesise, purify, and characterise organic compounds effectively.
   Set up and conduct chemical reactions using appropriate glassware, reagents, and experimental conditions.
   Analyse reaction progress and product purity using TLC, melting point determination, and spectroscopic techniques.
   Perform work-up and purification procedures such as liquid-liquid extraction, drying, recrystallisation, and rotary evaporation.
   Interpret experimental data and spectroscopic results to confirm the structure and purity of synthesised compounds.
   Demonstrate safe and responsible laboratory practice, including proper handling of chemicals, waste disposal, and adherence to health and safety protocols.

  Skills

  Students are expected to demonstrate the following on completion of the module:
   Ability to perform fundamental chemistry techniques, including reflux, distillation, recrystallization, and vacuum filtration.
   Ability to set up, monitor, and assess reactions, including the use of TLC for reaction progress and purity evaluation.
   Ability to execute workup and purification methods, such as liquid-liquid extraction, drying agents, and rotary evaporation.
   Ability to accurately measure and analyse compounds, including weighing with an analytical balance and performing melting point analysis.
   Ability to practice safe and efficient laboratory procedures, including handling hazardous reagents, proper waste disposal, and adherence to health and safety regulations.

  Coursework

  50%

  Examination

  0%

  Practical

  50%

  Credits

  10

  Module Code

  CHM1208

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Fundamentals of Chemistry (20 credits)

  ×

  Fundamentals of Chemistry

  Overview

  1. Elements, Atoms, ions, electrons and the periodic table. (9h)
  This course aims to give an introduction to the fundamental principles of atoms from the
  chemists’ viewpoint. Starting from a simple model and using the results of quantum mechanics
  a more appropriate model of the atom is presented. From this model trends in atomic and ionic
  properties which enable us to explain differences and similarities and predict the properties of
  different elements can be deduced. The following topics are covered:
  
  The Basics: element, the periodic table, atom, mole.
  Electromagnetic radiation: energy, wavelength and frequency.
  The Atom: the Bohr atom.
  The Electron: wave-particle duality and the Schrödinger wave equation, probability density,
  radial distribution function, orbitals, quantum numbers, s and p orbitals, phase, d orbitals.
  More than one electron: filling orbitals, the aufbau principle, the Pauli exclusion principle,
  Hund’s rules, penetration, shielding, effective nuclear charge, Slater’s rules, size.
  Trends: ionisation energy, electron attachment enthalpy (affinity), electronegativity, ionic
  radii, polarisability and polarising power, hydration enthalpies.
  Redox reactions: assigning oxidation numbers, oxidising and reducing agents, redox
  potentials.
  Percentage composition, empirical formula and molecular formula, determining limiting reactant. How to balance simple redox reactions.
  
  2. Introduction to Chemical Reactivity (9h)
  Introduction to chemical reactivity and the differing concepts of thermodynamic and kinetic control
  Factors affecting reaction rate: concentration, molecule shape, temperature and catalyst for successful collisions
  Concentration - time relationships for zero, first and second order reactions: rate equations and shapes of concentration – time graphs. Molecularity, stoichiometry and reaction order. Rate constants and units.
  Integrated rate equations: Graphical methods for determining the reaction order and the rate constant
  Half-life and first order kinetics
  Collision and transition state theory. The Arrhenius Equation and activation energy
  Reaction Mechanisms: Complex reactions and the rate determining step
  Relevant industrially important examples from all areas of science and engineering
  
  3. Structure and Bonding. (9h)
  This course introduces some important theories of bonding. Theories of bonding
  are discussed in some detail for discrete molecules. The discussion of bonding
  in molecular species centres on the valence bond and molecular orbital theories. Intermolecular forces between molecules are also discussed.
  Introduction to bonding: Discussion of types of structure and common bonding theories, examples of representative structures.
  Homonuclear Diatomic Molecules: Interatomic distance and covalent radii, Potential energy curves, attractive and repulsive forces, bond energy and enthalpy. Lewis structures, filled shells, the octet rule. Wavefunction, introduction to valence bond theory and molecular orbital theory, Valence bond theory: ionic and covalent contributions, resonance; Molecular orbital theory: molecular orbitals, linear combinations of atomic orbitals, orbital overlap, bonding and antibonding orbitals, MO diagrams, some shapes of MO’s, labelling MO’s, examples of simple MO diagrams, bond order.
  Heteronuclear Diatomic Molecules: Lewis structures, valence bond approach, Molecular orbital theory, energy matching, symmetry, non-bonding orbitals; electronegativity, electric dipole moments, carbon monoxide, isoelectronic molecules.
  Polyatomic Molecules: Metal complexes and covalent polyatomics, coordination number, common geometries, molecules obeying the octet rule, valence bond theory, expanding the octet, hybridization (sp, sp2, sp3), formal charge, single, double and triple carbon-carbon bonds, molecular shapes; molecular orbital theory: ligand group orbitals; comparison of VB and MO, macromolecules, fullerenes, proteins and hydrogen bonding.
  
  4. Introduction to Organic Structure. (9h)
  Structural formula to represent organic compounds, identify isomers and convert structural
  formula to molecular formula.
  Structure-property relationships of common organic functional groups, giving rise to stability,
  reactivity and solubility.
  Conformation and stereoisomerism including R&S, E&Z, and D&L notation.
  
  WORKSHOPS (2 x 2h)
  Workshop A: Open book computer-based quiz on units 1&2 week 7 (10% module mark).
  Workshop B: Open book written quiz on units 3&4 week 13 (formative).

  Learning Outcomes

  On completion of this module a learner should be able to:
  *Students should aim to achieve a solid grounding in the fundamental principles of atomic structure, the principal quantum numbers and s and p orbitals and the periodic table, including the ability to answer problems related to these concepts. They should be able to explain and use the aufbau principle. They should aim to achieve a good understanding of, and be able to explain, the trends in atomic and ionic properties in the periodic table. They should develop the ability to use these concepts to explain and predict the properties of the different elements.
  * Students should understand the factors that govern chemical reactivity.
  * Students should be able to draw Lewis structures for simple molecules that obey the octet rule and be able to use hybridisation to describe more complex structures and especially single, double and triple bonds to carbon. They must be able to understand how and why resonance is used to describe a structure.
  * They should understand the significance of molecular orbital diagrams, be able to draw them for simple molecules and be able to use the molecular orbital diagram to work out the order and suggest the stability of bonding.
  * Students should be able to contrast the valence bond and molecular orbital theory. Important parameters that help to describe bonding will be discussed and the students must be able to define and apply these terms in a qualitative way. Students will receive an introduction to solids and understand the main classes of solids and how they differ.
  * Students will become familiar with chemical descriptions of matter. What matter is made up of, how it can be organised into the periodic table and how we can start to understand it from a scientific perspective.
  * Students will learn about organic compounds, their structures, how they are named and understanding important functional groups.

  Skills

  Learners are expected to demonstrate the following on completion of the module:
  * Ability to write and predict atomic structure and properties.

  Coursework

  20%

  Examination

  80%

  Practical

  0%

  Credits

  20

  Module Code

  CHM1201

  Teaching Period

  Autumn

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Fundamental Laboratory Skills (10 credits)

  ×

  Fundamental Laboratory Skills

  Overview

  Practical classes content (9 sessions, 3h each)
  
  1. Introduction to laboratory safety & basic techniques
  • Pipetting, weighing, and solution preparation.
  • Safety and lab notebook introduction.
  
  2. Excel Workshop 1
  • Hands-on experience using Microsoft Excel to analyse and interpret experimental data.
  • Application of data processing techniques to determine rate order, rate constants, and
  associated errors.
  • Development of clear and effective data presentation for scientific analysis.
  
  3. Excel Workshop 2
  • Hands-on experience using Microsoft Excel to analyse buffer data and calculate key
  parameters
  • Application of statistical methods to determine buffer index and standard deviation.
  • Development of clear and effective data presentation for scientific reporting.
  
  4. Kinetic Study of Ester Hydrolysis
  • Hydrolysis of ethyl acetate in acidic solution.
  • Monitoring reaction progress via pH or spectrophotometry.
  • Determining reaction order from experimental data.
  
  5. Buffers and pH Measurement
  • Preparation of buffer solutions with a specific target pH.
  • Calculation of buffer composition using acid-base equilibria and pKa values.
  • Measurement of buffer capacity by titration with acid and base.
  
  6. Determination of the Activation Energy of a Reaction
  • Study of the temperature dependence of reaction rates using the Arrhenius equation.
  • Measurement of dissolution rates of effervescent tablets at varying temperatures.
  • Calculation of activation energy (Ea) from an Arrhenius plot.
  
  7. Concentration Cells and Electrode Potentials
  • Construction of a Zn-Cu electrochemical cell to measure and validate theoretical cell potentials.
  • Application of the Nernst equation to determine cell voltage under non-standard conditions.
  • Creation of a lemon battery using different electrode materials to generate electrical energy.
  
  8. Heat of Fusion and Heat of Solution
  • Determination of the heat of fusion of ice using calorimetry.
  • Measurement of the heat of solution for different ionic compounds.
  • Analysis of spontaneous processes using enthalpy (ΔH), entropy (ΔS), and Gibbs free energy
  (ΔG).
  
  9. Chemical Equilibria: Solubility and Le Chatelier’s Principle
  • Determination of the solubility product (KSP) of calcium hydroxide using titration.
  • Application of Le Chatelier’s Principle to equilibrium shifts in copper(II) chloride solutions.
  • Observation of equilibrium shifts through colour changes in response to concentration and
  temperature variations.

  Learning Outcomes

  On completion of this module students should be able to:
   Perform essential lab techniques, including weighing, measuring, and dispensing solids and
  liquids, handling common lab glassware, using reagent tables and performing standard lab
  based calculations
   Follow laboratory safety protocols, handle chemicals and equipment correctly, and maintain an accurate lab notebook.
   Process and interpret experimental data using Microsoft Excel, including statistical analysis, graphing, and trendline fitting to extract meaningful parameters such as buffer index and standard deviation.
   Determine and analyse reaction kinetics by calculating reaction orders, rate constants, and activation energies using experimental data and graphical methods.
   Apply electrochemical principles to construct galvanic cells, measure electrode potentials, and use the Nernst equation to predict and validate cell voltages under varying conditions.
   Investigate thermodynamic properties such as heat of fusion and heat of solution, and assess the spontaneity of chemical processes using enthalpy, entropy, and Gibbs free energy.
   Understand and apply chemical equilibrium concepts by determining solubility products (KSP) and demonstrating equilibrium shifts using Le Chatelier’s Principle.

  Skills

  Students are expected to demonstrate the following on completion of the module:
  
   Ability to follow standard laboratory procedures while maintaining accurate records, performing
  quantitative measurements, and critically analysing experimental results.
   Ability to utilise Microsoft Excel for scientific data analysis, including statistical processing,
  graphing, and trendline fitting to extract relevant parameters.
   Ability to conduct kinetic experiments and analyse reaction rates, rate constants, and activation
  energies using graphical methods and data interpretation.
   Ability to set up and operate electrochemical cells to measure electrode potentials, apply the
  Nernst equation, and evaluate redox reactions.
   Ability to perform thermodynamic calculations to determine enthalpy, entropy, and Gibbs free
  energy changes, assessing the spontaneity of chemical processes.
   Ability to apply principles of chemical equilibrium by determining solubility products (KSP) and
  predicting equilibrium shifts using Le Chatelier’s Principle.

  Coursework

  70%

  Examination

  0%

  Practical

  30%

  Credits

  10

  Module Code

  CHM1204

  Teaching Period

  Autumn

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Inorganic Chemistry 1 (20 credits)

  ×

  Inorganic Chemistry 1

  Overview

  Main Group Chemistry:
   Definitions: Oxidation Number and State, Valency.
   Brønsted and Lewis acidity and basicity; hard and soft principles.
   Chemistry of the s-block.
   Introduction to the chemistry of the p-block elements, emphasizing:
   Halides and hydrides.
   Multiple bonding.
   Molecular geometries (VSEPR theory).
   Effective atomic number rule (Octet Rule).
   Hypervalency.
   Hydrogen Bonding.
  
  Introduction to Coordination Chemistry:
   Introduction to coordination chemistry of the d-block elements.
   Trends and generalized properties, oxidation states.
   Complexes and ligands, (Lewis acids / bases).
   Co-ordination number, geometry, denticity, and chelates.
   Nomenclature
   Isomerism; geometrical, optical, ionisation, hydration, ligand, linkage and co-ordination.
   Crystal field theory d-orbital splitting in octahedral, tetrahedral and square planar complexes, Δ,
  high / low spin.
   Exploration of thermodynamic stability.
   Redox Potentials
  
  Introduction to Solids:
   States of matter and intermolecular forces
   Structure, energy and chemical bonding of solids
   Basic principles of chemistry in the solid state
   Structures of the elements, packing of spheres and metal structures
   Relationship between electronic structure, chemical bonding and crystal structure
   Salts, metals, ceramics, semiconductors and polymers
   Basic chemical and physical properties of solids
   Applications in materials chemistry

  Learning Outcomes

  On successful completion of this module a learner should be able to:
   Understand electronic configurations and the fundamentals of bonding,
   Understand Brønsted and Lewis acidity,
   Determine the oxidation state, valency and molecular geometry in simple inorganic compounds,
   Have a general overview of s and p-block chemistry,
   Have a general overview of d-block chemistry,
   Have a general overview of the principles of chemistry in the solid state,
   Perform simple synthetic procedures following a method,
   Obtain and analyse data from physico-chemical phenomena.
   Students should aim to achieve a solid grounding in the fundamental principles of atomic
  structure, the principal quantum numbers and s and p orbitals and the periodic table, including
  the ability to answer problems related to these concepts.
   They should be able to explain and use the aufbau principle.
   They should aim to achieve a good understanding of, and be able to explain, the trends in
  atomic and ionic properties in the periodic table.
   They should develop the ability to use these concepts to explain and predict the properties of
  the different elements.
   Students should be able to draw Lewis structures for simple molecules that obey the octet rule
  and be able to use hybridisation to describe more complex structures and especially single,
  double and triple bonds to carbon.
   They must be able to understand how and why resonance is used to describe a structure.
   They should understand the significance of molecular orbital diagrams, be able to
  draw them for simple molecules and be able to use the molecular orbital diagram
  to work out the order and suggest the stability of bonding.
   Students should be able to contrast the valence bond and molecular orbital theory.
   Students will receive an introduction to solids and understand the main classes of solids and
  how they differ.

  Skills

  Learners are expected to demonstrate the following on completion of the module:
  (All below are practised only):
   Communication – some spoken during practicals and help sessions but in general written.
   Numeracy – Level 3 attainment in maths and numbers
   Improving own learning & performance – Basic level of time management
   Problem-solving – Basic level of solving problems in exams, class tests. seminars and
  laboratories.
   Safe handling of chemical materials, taking into account their physical and chemical properties,
  including any specific hazards associated with their use
   Standard laboratory procedures involved in synthetic and analytical work.

  Coursework

  20%

  Examination

  80%

  Practical

  0%

  Credits

  20

  Module Code

  CHM1206

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

• Year 2

  Core Modules

  Inorganic Chemistry 2 (20 credits)

  ×

  Inorganic Chemistry 2

  Overview

  NAME CONTRIBUTION
  Prof. J. Holbrey
  j.holbrey@qub.ac.uk Main Group Chemistry (10 Lectures, 2 Seminars, lab co-ordination)
  Prof. S.L. James
  s.james@qub.ac.uk Coordination Chemistry (II) (10 Lectures and 2 Seminars);
  Dr. M. Muldoon
  m.muldoon@qub.ac.uk Inorganic Reaction Mechanisms (10 lectures, 2 seminars).
  
  COORDINATION CHEMISTRY:
   The aim of this course is to extend your knowledge and understanding of transition metal chemistry. We will consolidate and extend on the material from your Coordination Chemistry lectures in year 1, beginning with fundamental properties of, and trends in, the d-block, brief revision of basic aspects of coordination complexes, including oxidation states, geometries, isomerism, etc., and how to write their chemical formulae and name them. We then revise and extend Crystal Field Theory, cover Ligand Field Theory and HSAB theory, all of which help to explain the observed characteristics of these complexes (e.g. colours, magnetism, geometries, stabilities etc). As the course progresses you should make sure that you are clear on which theories explain which observations, what the limitations of each theory are, and be able to apply them to solving problems. We finish with the basics of organometallic compounds of the transition metals.
   Introduction: General properties of, and trends within, the transition elements: sizes, electronegativities, oxidation states, etc. Revision of important basics of coordination chemistry from year 1: ligands (Lewis bases), Lewis acids. How to write formulae and name coordination complexes. Deducing oxidation states and d-electron configurations.
   The coordination sphere: Revision and extension of coordination numbers, geometries, denticity, chelating ligands. The chelate and macrocyclic effects. Types of isomerism: geometrical, optical, ambidentate ligands.
   Hard and soft acids and bases (HSAB theory): Which combinations of ligands and metals form strong bonds and which form weak bonds?
   Crystal Field Theory: Brief revision of the concepts from year 1: shapes of the d-orbitals, deducing crystal field splitting diagrams for octahedral and tetrahedral complexes. Square-planar and trigonal bipyramidal geometries. Crystal field stabilisation energies. Hydration enthalpies of M2+ ions. Factors influencing ∆. The spectrochemical series. High-spin and low-spin complexes. Jahn-Teller effects.
   Seminar: consolidation of topics 1-4 and problem solving.
   Colour d-d transitions, metal-to-ligand charge transfer, UV-visible spectra.
   Magnetism magnetic moments, the spin-only formula.
   Ligand Field Theory pure σ-donor ligands, π-donors, π-acceptors. Molecular orbital diagrams for octahedral complexes, effects of π-bonding. Full explanation of the spectrochemical series.
   Metal-metal bonding: description of bonding in dimetal compounds
   Introduction to transition metal organometallic compounds: Complexes containing simple organic ligands such as hydride, alkyl groups, and CO.
   Seminar: consolidation of topics 6-10 and problem solving.
  
  INORGANIC REACTION MECHANISMS:
   This course describes some pathways by which molecular inorganic compounds react in solution. Firstly we will discuss why inorganic molecules react and what determines their stability and reactivity and then outline some common reaction mechanisms and factors that influence the path of reactivity.
   Introduction: The study of reaction mechanisms is useful in industrial, bioinorganic and synthetic chemistry; methods of study include use of in situ spectroscopy, Beer-Lambert Law.
   What Determines Reactivity? Reaction profile, transition state, activation barrier, stability.
   Stability: Formation constant, sterics and electronics, theories of bonding, MO theory, crystal field theory, Irving - Williams series, CFSE, chelate and macrocyclic effect.
   Reaction Kinetics and Rate: Reaction profiles and rate, EACT, labile / inert complexes, theory of microscopic reversibility, elementary reactions, Arrhenius equation, revision of rate laws, first, second and pseudo-first order.
   Reaction Types: Introduction to addition, dissociation, substitution; changes in geometry and stereochemistry, allogons, Berry pseudorotation, insertion / elimination, oxidation / reduction, oxidative addition / reductive elimination.
   Insertion and Elimination: Insertion, 1,1-migratory insertion, 1,2-migratory insertion; insertion of CO: isotope labelling, factors effecting rate, Lewis Acid promotion; insertion of alkenes: stereochemistry, coplanar transition state, polymerisation; elimination: β elimination, α,γ,δ-elimination, cyclometallation.
   Oxidation/Reduction: Inner sphere mechanism: bridging ligands; outer sphere mechanism: reorganisation and rearrangement energy, Marcus theory, slow electron transfer.
   Oxidative Addition/Reductive Elimination: Oxidative addition: concerted addition, sigma complex, SN2, radical and ionic mechanisms; Reductive elimination; homogeneous catalysis
   Substitution: Langford-Gray nomenclature, mechanisms A, Ia, Id, D, entering group; leaving group, nucleophilicity, spectator ligand, 2 and 3 coordinate complexes; tetrahedral complexes, nitrosyl complexes, square planar complexes: solvent substitution, stereochemistry, trans effect and influence; five coordinate complexes; octahedral complexes: Co(III) complexes, solvolysis, CFAE, entering, leaving and spectator group effects, base catalysed substitution, shift mechanism.
  
  MAIN GROUP CHEMISTRY:
   This course discusses general trends in main group chemistry, and then highlights these through a discussion of the significant chemistry of each of the groups in the p-block, and organometallic chemistry of the s- and p-blocks. At the end of the course, the student will be familiar with each of the elements, and be able to predict the reactivity of and synthetic procedures to common main group compounds.
   Introductory Remarks: Brief revision of basic concepts including Lewis structures, valence electron calculations, oxidation states and prediction of molecular shapes, understanding of general trends in the periodic table (effective nuclear charge, radii, ionisation energy, electronegativity).
   Exploration of general trends in the p-block: Transition metal and lanthanide contraction, inert pair effect, second row anomaly, diagonal relationships and colour, oxidation states, trends in Lewis acidity.
   Organometallic Chemistry of the s- and p-block elements: Synthesis, bonding, reactivity and physical properties of typical lithium, sodium and potassium hydrocarbyls, Grignard reagents, organometallic chemistry of groups 12 to 14 (zinc, cadmium, mercury, aluminium, thallium, tin and lead) including synthesis structure and reactivity.
   Descriptive Chemistry of Group 13: Occurrence and recovery, descriptive chemistry of the elements, halides, hydrides and boranes, oxides and the boron nitrides.
   Descriptive Chemistry of Group 14: Descriptive chemistry of the elements, halides, hydrides, oxides and sulfides. Applications of silicones.
   Descriptive Chemistry of Group 15: Descriptive chemistry of the elements, hydrides, oxides, oxyacids and phosphazenes.
   Descriptive Chemistry of Group 16: Descriptive chemistry of the elements, hydrides, oxides, oxyacids, halides and sulfur-nitrogen compounds.
   Descriptive Chemistry of Group 17: Descriptive chemistry of the elements, hydrides, oxides, oxyacids, interhalogens, polyiodides and charge transfer complexes.
   Descriptive Chemistry of Group 18: Descriptive chemistry of the elements, fluorides and oxides.
   Seminar: Consolidation of topics and worked example problem solving.

  Learning Outcomes

  The student should gain a deeper understanding of the various theories (e.g. Crystal Field, Ligand Field, HSAB etc) which help to explain the bonding and behaviour of transition metal compounds. The student should be able to apply these theories to problem solving (e.g. predicting geometries, magnetic properties, relative stabilities, isomerism, outcomes of reactions etc). The student should learn about the relationship between structure and reactivity and the main mechanisms by which dissolved inorganic molecules react. This will enable he/she to suggest likely reaction mechanisms for some simple inorganic reactions. The student will learn to evaluate and contrast the reactivity of similar complexes and predict likely products of reaction. The student will gain a broad overview of the fundamental properties of main group compounds and their reactivity patterns. The student should be able to understand and rationalise the properties and reaction chemistry of various main group compounds on the basis of a few straightforward principles.

  Skills

  Skills are mainly subject-specific involving increased understanding and knowledge of the elements and their compounds. The students also have the opportunity to develop verbal presentation and reasoning skills through tutorials, and observational and scientific reporting skills through practical work.

  Coursework

  5%

  Examination

  70%

  Practical

  25%

  Credits

  20

  Module Code

  CHM2004

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Physical Chemistry 2 (20 credits)

  ×

  Physical Chemistry 2

  Overview

  SECTION 7: STAFF
  
  NAME and CONTRIBUTION:
  
  Prof. A. Mills
  andrew.mills@qub.ac.uk
  Introduction to Practicals (1 Lecture); Basic Reaction Kinetics (8 Lectures, and 1 tutorial.); Thermodynamics (7 Lectures, 1 tutorial and 1 class test); Photochemical Kinetics and Techniques (5 Lectures, and 1 tutorial).
  
  Dr. A. Doherty
  a.p.doherty@qub.ac.uk
  Surfaces and Interfaces (6 Lectures, and 1 tutorials); Dynamic Electrochemistry (3 lectures)
  
  Content:
  Introduction to Practicals:
  * Introduction to the basic material necessary for the performing of the practicals as well as a focus on the context of these practicals with respect to the courses taught in the module.
  Basic Reaction Kinetics:
  * Basic reactor design, energy and mass balance and basic reactor kinetics. Introduction to reaction kinetics; * rate law and reaction order, reaction stoichiometry, molecularity, elementary and non-elementary reactions, limiting reactant, %conversion, order of reaction, single and multiple reactions, parallel and series reactions, multi-step processes, Arrhenius equation, manipulation and use of rate equations; * interpretation of experimental kinetic data; * integrated rate equations, equilibria kinetics.
  Thermodynamics:
  * Review of H, S and G functions, the laws of thermodynamics and Hess’s law. * Kirchhoff’s equation, Trouton’s Rule. Calculation of DH, DS and DG at temperatures other than 298 K. * The reaction Gibbs Energy, Chemical equilibrium and mixing and the Van’t Hoff Reaction Isotherm. * The Van’t Hoff Reaction Isochore, the Classius-Clapeyron equation and vapourisation. * The Clapeyron equation and melting. * Concept of activities and chemical potentials. * Ideal and real mixtures (Raoult’s and Henry’s laws). * Fractional distillation. * Phase equilibria. * Colligative properties. * Derivations of equations for elevation of boiling point, depression of freezing point and osmotic pressure. * Mean activity coefficient. * Activity vs. concentration; activity coefficient and its calculation from the Debye-Hückel equations (limited and extended). * Thermodynamic and concentration equilibrium constants. * Solubility and solubility products. * The 'Thermodynamics' section of the course will only be examined in the open book class test, i.e. no 'Thermodynamics' based question will appear on the exam paper.
  Surfaces and Interfaces:
  * Solid-Solid, Gas-Liquid, Liquid-Liquid, Liquid-Solid and Gas-Solid * Review of important applications * Surface thermodynamics * Surface energy, surface tension, interfacial tension, surface phenomena and surface characteristics * Absorption, adsorption and reactions on surfaces * Physisorption, * Chemisorption, * Empirical and derived adsorption isotherms; * Linear, * Freundlich * Langmuir * BET * Adsorption thermodynamics * Adsorption kinetics and mechanisms * Adsorption’s role in heterogeneous catalysis * Adsorption and surface chemistry in chromatography * Thermodynamics of mass distribution between phases.
  Dynamic electrochemistry:
  * Revision of the Nernst equation, electrodes, electrochemical cells, cell thermodynamics. * Galvanic cells vs. electrolytic cells. * Electrochemical Kinetics * Tafel equation * Butler-Volmer equation * Transfer coefficient / symmetry factor * Over-potential, kinetic and mass transfer * Exchange current density * Charge transfer resistance * Heterogeneous electron transfer rate constant * Corrosion mechanisms and corrosion rates measurement * Electrical capacitance, structure of the electrode/electrolyte interface, electrochemical double layer capacitance, energy stored in a capacitator.
  Photochemical Kinetics and Techniques:
  * The course will examine the Stern-Volmer equation and deviations from it. The techniques to be studied will be: (i) single photon counting, (ii) phase modulation and (iii) flash photolysis.

  Learning Outcomes

  On successful completion of this module a learner should be able to:
  apply basic principles of thermodynamics and kinetics, physical chemical separation and their applications to selected chemical systems and dynamic electrochemistry. In particular students will be familiar with the basic terminology used in thermodynamics and kinetic and physical chemical separation and be confident to apply these principles to physical processes and chemical transformations.

  Skills

  Learners are expected to demonstrate the following on completion of the module:
  Students will develop practical skills to collect and analyse experimental data illustrating thermodynamic and kinetic principles and have general understanding of chromatographic techniques including HPLC, GC, ion chromatography, size-exclusion chromatography and affinity chromatography, electrophoresis, centrifugation and phase separation and the basic principles and methods used in dynamic electrochemistry.

  Coursework

  20%

  Examination

  60%

  Practical

  20%

  Credits

  20

  Module Code

  CHM2001

  Teaching Period

  Full Year

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Organic Chemistry 2 (20 credits)

  ×

  Organic Chemistry 2

  Overview

  Staff: Contribution:
  Dr. K. Tchabanenko Module Co-ordinator, 6 lectures, 1 seminar on Reagents for C-C Bond Formation, Lab supervisor, Workshop facilitator, Class Test examiner.
  Dr. P. Knipe 6 lectures, 1 seminar on Alicyclic Chemistry, 6 Lectures on Stereochemistry, Lab supervisor, Workshop facilitator, Class Test examiner.
  Dr. K. Tchabanenko 6 lectures, 1 seminar on Reactive Intermediates, Lab supervisor, Workshop facilitator, Class Test examiner.
  Dr. G. Sheldrake 6 lectures, 1 seminar on Heterocyclic Chemistry, Lab supervisor, Workshop facilitator.
  Dr. J. Vyle 6 lectures,1 seminar on Primary metabolites.
  
  
  
  Summary of Lecture Content:
  
  1. Reagents for C-C Bond Formation
  Lecturer: Dr. K. Tchabanenko E-mail address: k.tchabanenko@qub.ac.uk
  6 Lectures
  
  Detailed synopsis:
  
  Carbon-electrophiles and carbon-nucleophiles. Relative acidities of CH bonds and bases. Organo-magnesium, lithium, zinc and copper reagents as C-nucleophiles: formation, structure and reactivity. Malonates, enolates, enamines and reactions thereof. Decarboxylation of -ketoacids.
  Wittig reaction. Chemoselectivity and protecting groups. Role of Lewis acids in organic chemistry.
  
  
  
  2. Alicyclic Chemistry
  Lecturer: Dr P Knipe E-mail address: p.knipe@qub.ac.uk
  6 Lectures, 1 seminar
  
  Detailed synopsis:
  
  This course describes the structures of carbon-based ring systems. Ring strain will be used to rationalize the conformational preferences of these molecules. The thermodynamics and kinetics of ring formation as a function of ring size will be discussed. Baldwin’s Rules governing kinetically-controlled ring-closing reactions will be introduced. Where relevant, frontier molecular orbitals (FMOs) will be used as a tool to explain conformation and reactivity.
  
  Key strategies for the synthesis of cyclic compounds:
  (i) Cyclization reactions – to include intramolecular alkylation (SN2-like) of enolates; Dieckmann condensation; Robinson ring annulation; ring-closing metathesis.
  (ii) Cycloadditions reactions – to include carbene insertion e.g. Simmons-Smith (cyclopropanes); [2+2]-photocycloaddition (cyclobutenes); Diels-Alder [4+2] cycloaddition (cyclohexenes).
  (iii) Ring expansion and contraction reactions – to include Favorskii, Wolff and Tiffeneau-Demjanov rearrangements.
  
  
  
  
  
  3. Reactive Intermediates
  Lecturer: Dr. K.Tchabanenko E-mail address: k.tchabanenko@qub.ac.uk
  6 Lectures
  
  Detailed synopsis:
  Radicals
  Reintroduction to radicals, homolytic bond strengths and cleavage, radical stabilities, radical precursors, initiators and acceptors, nucleophilic and electrophilic radicals, chain reactions, halogenations, cyclisations, rearrangements, substitutions, aromatic radical chemistry, oxidations, deoxygenations and reductions, hydrogen abstractions.
  Carbenes and Nitrenes
  Structure (singlet vs. triplet), stability, synthesis, N-heterocyclic carbenes, cyclopropanation, aziridination, C-H insertion, benzoin and Stetter reactions, rearrangements, ring expansions, reactions of dichlorocarbene, uses in synthesis.
  
  4. Natural products: The Primary Metabolites
  Lecturer: Dr. J. Vyle E-mail address: j.vyle@qub.ac.uk
  6 Lectures and 1 workshop.
  
  Detailed synopsis:
  • Introduction to primary metabolites (1 lecture)
  Understand biological relevance of each class of compound; know basic structures of monomers and polymers; D- / L- and - / -descriptors.
  • Carbohydrate chemistry (2 lectures)
  Selective hydroxyl-group protection / activation; chemical glycosylation strategies,
  /-anomeric control.
  • Nucleoside chemistry (2 lectures)
  Preparation of nucleosides with modified and unmodified sugars, nucleobases, phosphate esters.
  • Amino acid chemistry (1 lecture)
  Selective protection of side-chain functional groups and -amines.
  
  
  
  
  5. Heterocyclic Chemistry
  Lecturer: Dr. G. Sheldrake E-mail address: g.sheldrake@qub.ac.uk
  6 Lectures, 1 seminar
  
  Detailed synopsis:
  This course introduces the properties, chemistry and synthesis of aromatic heterocyclic compounds. Material will include:
  • six-membered heterocycles: pyridine and derivatives; quinolines and isoquinolines. Structure, aromaticity and preparation. Amine reactions. Electrophilic and nucleophilic substitution. Oxidation and reduction, substituted pyridines and substituent reactivity.
  • five-membered ring heterocycles: pyrrole, thiophene, furan and derivatives. Indole. Structure and reactivity. Electrophilic and nucleophilic substitution.
  • rings containing more than one heteroatom: pyrimidine and purine: natural occurrence and importance in biology. Imidazoles, oxazoles, thiazoles, triazoles, tetrazoles: reactivity and applications in synthesis.
  
  Coursework assignments:
  
  1. NMR Spectroscopy Workshop
  Facilitators: Dr. G. Sheldrake, Dr. K. Tchabanenko, Dr. P. Knipe
  Two 3-hour workshops
  
  Please note that these workshops will take place on the first or second day of term and are compulsory.
  
  These workshops are designed to teach the principles of NMR spectroscopic interpretation which is a fundamental skill in organic chemistry and will be required many times in organic and inorganic practicals and Level 3 / Level 4 projects. The course will provide an introduction to an NMR spectroscopic software package (Bruker TopSpin) which enables the user to determine the parameters of a spectrum and extract data such as chemical shift, integration and coupling constants. Working in small groups (2-3) you will be given NMR spectra of some simple organic compounds along with some basic rules and guidelines and asked to identify the structures from the spectra.
  
  2. Class Test
  Set and marked by: Dr. K. Tchabanenko and Dr. P. Knipe
  1 hour during Week 9
  
  There will be a Class Test in Week 9 of the semester which will test your knowledge and understanding of the first three lecture courses. This is an important and compulsory element of the coursework and contributes 5% towards the overall module mark.
  
  3. Practical Experiments
  Lab Supervisors: Dr. G. Sheldrake, Dr. P. Knipe Dr. K. Tchabanenko
  
  Organic Chemistry is a practical subject and this course of six experiments is designed to teach many of the key skills required for synthetic organic chemistry, such as chromatography, distillation, crystallisation, spectroscopic characterisation, as well as providing practical examples of some of the important reactions encountered in the lecture material. The course will also provide practice in preparing experimental reports in the correct chemistry literature styles.
  
  Full details of the practical programme will be provided in the CHM2003 Laboratory Manual.
  
  4. Tutorials
  Tutors: members of the Organic Teaching Staff
  Five 1-hour tutorials, fortnightly from Week 4 (plus revision tutorial if requested)
  
  The lecture material will be supported by small group (≤ 6) tutorials held in weeks 4, 7, 9, 10 and 12. The tutorials will be structured around questions from a tutorial booklet, circulated at the beginning of term, but these sessions are also an opportunity to discuss aspects of the course material that are causing problems or are difficult to assimilate.
  
  Full details of the tutorial programme will be provided in the CHM2003 Tutorial Booklet.

  Learning Outcomes

  Learning outcomes:
  Upon completion of the module the student will have:
  * An understanding of chemical terminology, nomenclature and conventions, to be achieved through the recognition and application of reagents e.g. electrophiles/ nucleophiles, carbocations, carbanions, radicals, carbenes and nitrenes.
  * Some appreciation of new types of chemical reactions in the context of reagents for carbon carbon bond formation, cyclisation reactions, condensation reactions and ologosaccaride formation.
  * An ability to compare and contrast the distinctive structural and electronic features of the main classes of heterocyclic compounds.
  * A knowledge of the principal synthetic methods for preparing heterocycles and examples of reactions typical of each class.
  * A knowledge of the chemical structure of primary metabolites including sugars, oligosaccharides and nucleotides, the key reactions used for their formation.
  * Direct experience of the practical application of key reagents, reactions and analytical techniques in synthetic organic chemistry e.g. organometallic reagents, C-C bond formation reactions, cyclisations, chromatographic separation and spectroscopic analysis.

  Skills

  Learners are expected to demonstrate the following on completion of the module:
  Subject specific skills will have been acquired by the students. The practical skills will be improved via longer and substantially more complex experiments, and more rigorously assessed reports (compared to the first year module). In addition, students will have acquired skills in experimental reporting in the correct style for peer-reviewed journals.

  Coursework

  10%

  Examination

  60%

  Practical

  30%

  Credits

  20

  Module Code

  CHM2003

  Teaching Period

  Full Year

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Quantum Theory, Spectroscopy and Bonding (20 credits)

  ×

  Quantum Theory, Spectroscopy and Bonding

  Overview

  1. QUANTUM THEORY AND ATOMIC STRUCTURE (12 Lectures/workshops) Lecturer: Dr Lane (Room 0G.123) E-mail: i.lane@qub.ac.uk
  Basic quantum theory: Planck and quantization: Einstein and the explanation of the photoelectric effect
  Old quantum physics: the Zeeman effect and Stern-Gerlach experiments: the discovery of electron spin: Aufbau Principle: the failure to describe the helium atom and Anomalous Zeeman effect
  
  Quantum mechanics: Solving the Schrödinger equation for the hydrogen atom and understanding the radial and angular wavefunctions
  The coupling of spin and orbital angular momenta, fine structure and the complete explanation of the Stern-Gerlach and Zeeman experiments.
  Atomic spectroscopy and selection rules for electric dipole transitions.
  
  The problem of electron correlation and solving the energy levels of helium (perturbation theory): symmetric and antisymmetric wavefunctions. The Pauli Principle and its application in quantum statistics: experimental proof of Exclusion Principle. Explaining why helium triplet states must be antisymmetric orbital wavefunctions.
  
  
  
  2. QUANTUM MECHANICS AND CHEMICAL BONDING (6 Lectures/workshops)
  Lecturer: Dr Lane (Room 0G.123) E-mail: i.lane@qub.ac.uk
  
  The quantum mechanical explanation of chemical bonding: exchange integrals. Some basic principles of chemical bonding: Linear Combination of Atomic Orbitals, (LCAO) method applied to homonuclear and heteronuclear diatomics and ‘orbital mixing’.
  Drawing molecular orbital energy diagrams for 1st and 2nd row diatomics: application to hydrides.
  
  Parity and wavefunctions: molecular Term Symbols and the Wigner-Witmer rules for diatomic molecules.
  Basic rules of molecular electronic spectroscopy: Franck Condon principle, zero-point energy and vibrational wavefunctions.
  A brief introduction to bonding in symmetric triatomic molecules: Walsh diagrams and the explanation of molecular geometry.
  
  
  3. ROTATIONAL SPECTRA (4 Lectures/workshops)
  Lecturer: Prof. Bell (Room LG.432A) E-mail: s.bell@qub.ac.uk
  
  Rotational spectroscopy. Quantized rotational energy levels of molecules. Experimental methods.
  
  
  Treatment of rigid diatomic molecules: energy levels, selection rules, reduced mass, moments of inertia, isotope effects.
  
  Determination of bond lengths in diatomic molecules using rotational spectroscopy. Non-rigid rotors. Rotations of polyatomic molecules.
  
  Analytical applications of molecular rotational resonance spectroscopy.
  Appearance of rotational fine structure in vibrational spectra, PQR and PR profiles.
  
  
  4. PHOTOCHEMICAL KINETICS (6 Lectures)
  Lecturer: Prof. A Mills (Room 01.401) E-mail: andrew.mills@qub.ac.uk
  Photochemical kinetics and techniques
  The Stern-Volmer equation and deviations from it.
  Photochemical techniques: (i) single photon counting, (ii) phase modulation and (iii) flash photolysis.
  
  .
  5. INTRODUCTION TO QUANTUM CHEMISTRY (5 Lectures/1 seminar) Lecturer: Prof. Bell (Room LG.432A) E-mail: s.bell@qub.ac.uk
  Introduction to valence bond (VB) theory. VB description of bonding in diatomic molecules. VB treatment of polyatomic molecules and the concept of hybridisation.
  
  Molecular orbital (MO) theory. Molecular orbitals as linear combinations of atomic orbitals, normalisation of wavefunctions. Overlap integrals. Bonding in homonuclear and heteronuclear diatomic molecules. Coulomb and resonance integrals, the variation principle.

  Learning Outcomes

  Learning Outcomes
  
  By the end of this module students should:
  
  • be able to explain the basic concepts and terminology of quantum mechanics, as applied to systems of chemical interest and have a general awareness of experimental evidence for quantization;
  • have an awareness of the need for approximate methods in quantum mechanics e.g. the variational principle, self-consistent field theory, perturbation theory;
  • understand chemical bonding in simple quantum mechanical terms, applied to diatomic and triatomic molecules including their symmetry properties;
  • describe the basic features of rotational spectra of diatomic molecules and vibration-rotation spectra of di- and simple poly-atomic molecules;
  • be able to use quantum chemistry methods to model the structures of molecular compounds, calculate their energy levels and predict their spectroscopic properties.
  • be able to discuss the basics of photo absorption and the decay of excited molecules;
  • understand the role of the Pauli principle in the nature of atomic and molecular wavefunctions, the derivation of Slater determinants and the basis for the Hartree – Fock method.
  QAA benchmark statements covered by the module
  
  • The principles of quantum mechanics and their application to the description of the structure and properties of atoms and molecules;
  • The principal techniques of structural investigations, including spectroscopy.

  Skills

  At the skills level, the module focuses on abilities relating to numerical problem solving in which practice is given in areas of spectroscopy and simple quantum mechanics.
  
  In the compulsory practical element, skills relating to the conduct of laboratory work in spectroscopy are practised.

  Coursework

  35%

  Examination

  50%

  Practical

  15%

  Credits

  20

  Module Code

  CHM2005

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Industrial and Green Chemistry (20 credits)

  ×

  Industrial and Green Chemistry

  Overview

  STAFF
  
  NAME CONTRIBUTION
  Dr. A.C. Marr
  a.marr@qub.ac.uk Introduction to the Chemical Industry 8 Lectures, seminars. Process Design Project Facilitator- Six 2-hour workshops and final 3-hour presentation workshop.
  Dr. P.C. Marr
  p.marr@qub.ac.uk Module Co-ordinator; Introduction to Polymers I -10 Lectures, seminars; Introduction to Polymers II – 4 Lectures, Seminars. Process Design Project Facilitator- Six 2-hour workshops and final 3-hour presentation workshop.
  Dr. G. N. Sheldrake
  g.sheldrake@qub.ac.uk Introduction to Green Chemistry - 8 Lectures; Process Design Project Facilitator - Six 2-hour workshops and final 3-hour presentation workshop.
  
  Introduction to the Chemical Industry:
   The Chemical Industry is based on the efficient transformation of simple building blocks into increasingly complex and higher value-added intermediates and products. This short introduction to the subject will demonstrate how important industrial chemicals can be synthesised using catalysed reactions, starting from the feed stocks of the current chemical industry: fossil fuels.
   From fossil fuels to chemicals.
   Comparison of homogeneous, heterogeneous and bio-catalysis.
   Heterogeneous catalysis and the synthesis of building blocks: CO, H2, NH3, olefins.
   Large scale homogeneous processes.
   Separations in homogeneous catalysis.
   Introduction to industrial biocatalysis for chemical synthesis.
  
  Introduction to Green Chemistry:
   This course will introduce the concepts of “green” chemistry and the development of a sustainable future for chemical manufacture. Topics covered will include techniques for greener synthesis and the application of these techniques to real industrial problems. Topics covered will include:
   The case for sustainability in chemical manufacture; the twelve principles of “green chemistry”; methods for evaluating and comparing the “greenness” of chemical processes
   Greener reaction media: supercritical fluids, ionic liquids, sustainable organic solvents, solventless processes.
   The green chemist’s toolbox: an introduction to enzyme-catalysed transformations; heterogeneous acids and bases; greener reductions and oxidations;
   Greener process design.
   Case studies.
  
  Introduction to Polymers l:
   This course will introduce the topic of applied materials. The course will include an introduction to polymers, polymer synthesis and applications of polymer from bulk to medical. The course will introduce green approaches to polymer synthesis and polymer recycling.
   Introduction to polymers.
   Overview of structure property relationships.
   Biopolymers and polymers from renewable feedstocks
   Polymers for medicine (structural, pharmaceutical)
   Polymer recycling
  
  Introduction to Polymers II:
   Polymer characterisation, analysis, and industrial applications.
   Industrially important bulk polymers.
   Will include case studies of industrially important polymer manufacture. Discussion on scale up.
  
  Coursework assignments.
  Process Design Project:
   This exercise will provide an opportunity to work in teams using principles of industrial and green chemistry to design a chemical manufacturing process.
  Introduction to the Chemical Industry:
   The Chemical Industry is based on the efficient transformation of simple building blocks into increasingly complex and higher value-added intermediates and products. This short introduction to the subject will demonstrate how important industrial chemicals can be synthesised using catalysed reactions, starting from the feed stocks of the current chemical industry: fossil fuels.
   From fossil fuels to chemicals.
   Comparison of homogeneous, heterogeneous and bio-catalysis.
   Heterogeneous catalysis and the synthesis of building blocks: CO, H2, NH3, olefins.
   Large scale homogeneous processes.
   Separations in homogeneous catalysis.
   Introduction to industrial biocatalysis for chemical synthesis.
  
  Introduction to Green Chemistry:
   This course will introduce the concepts of “green” chemistry and the development of a sustainable future for chemical manufacture. Topics covered will include techniques for greener synthesis and the application of these techniques to real industrial problems. Topics covered will include:
   The case for sustainability in chemical manufacture; the twelve principles of “green chemistry”; methods for evaluating and comparing the “greenness” of chemical processes
   Greener reaction media: supercritical fluids, ionic liquids, sustainable organic solvents, solventless processes.
   The green chemist’s toolbox: an introduction to enzyme-catalysed transformations; heterogeneous acids and bases; greener reductions and oxidations;
   Greener process design.
   Case studies.
  
  Introduction to Polymers l:
   This course will introduce the topic of applied materials. The course will include an introduction to polymers, polymer synthesis and applications of polymer from bulk to medical. The course will introduce green approaches to polymer synthesis and polymer recycling.
   Introduction to polymers.
   Overview of structure property relationships.
   Biopolymers and polymers from renewable feedstocks
   Polymers for medicine (structural, pharmaceutical)
   Polymer recycling
  
  Introduction to Polymers II:
   Polymer characterisation, analysis, and industrial applications.
   Industrially important bulk polymers.
   Will include case studies of industrially important polymer manufacture. Discussion on scale up.
  
  Coursework assignments.
  Process Design Project:
   This exercise will provide an opportunity to work in teams using principles of industrial and green chemistry to design a chemical manufacturing process.
   The students will be allocated a project in which they will be asked to solve a problem. “The company” will ask them to take an existing process and improve on it using their Green Chem. knowledge. They will work in groups to produce a report outlining their findings and also present their recommendations by means of a conference style scientific poster presentation. An individual written report of the development of the process will also be produced.
   The style is intended to mirror the type of problem a team may be asked to solve in the workplace.
  
  Workshop sessions:
   Talk from careers service (PD)
  Project group allocation (kick off session) (GNS) (ACM) (PCM)
   Life cycle analysis (GNS).
   Literature and the library (IB).
   Plagiarism (CL DC).
   Report writing and scientific communication skills (PCM).
   Biocatalysis (SM, ALMAC - if available to present a guest lecture)
  
  The sessions are split: The presentation is the first hour, the second hour is timetabled to provide the students a space and time for groupwork and give students the opportunity to embed the content of the workshop into their final report and presentation. Staff will be available to provide feedback and give guidance on the project.
  
   These exercises (PCM ACM GNS) contribute:
   10% Group Report 1(intro and LCA).
   25% Group report 2 (Written Design Project report).
   10% individual Design Project report.
   15% Group Poster Presentation.
  
  Laboratory session (GNS + PCM):
   laboratory on green chemistry/biocatalysis
  This exercise contributes: 20%
  
   Class test 20% (PCM)

  Learning Outcomes

  On completion of this module a learner should be able to:
   Have learned about where industrial chemicals come from
   Have learned about new classes of chemicals and chemical structure and how physical, chemical and mechanical properties of these relate to their applications
   Have a working knowledge of how organic functionality can be built up from simple feedstocks.
   Have an appreciation of the sorts of considerations important to the application of chemistry to industrial problems
   Have earned about industrially important polymers and polymer synthesis, including greener methods and recycling
   Have an appreciation of key applications of polymers learned the principles and synthetic techniques underlying green chemistry
   Have an appreciation of how these techniques are applied to industrial-scale syntheses
   Have an appreciation of how these principles are used in the design of more sustainable and selective industrial chemical manufacturing processes.

  Skills

  Learners are expected to demonstrate the following on completion of the module:
   Subject specific skills, and transferable/employability skills.
   Students will have developed skills in:
   Report writing (written communication in a scientific style)
   problem solving through teamwork
   The application of technical principles to complex real-world design problems
   communication and presentation of scientific results
   numeracy
   IT
   Self management
   Interview skills.

  Coursework

  80%

  Examination

  0%

  Practical

  20%

  Credits

  20

  Module Code

  CHM2006

  Teaching Period

  Spring

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Structural Chemistry (20 credits)

  ×

  Structural Chemistry

  Overview

  NAME CONTRIBUTION
  Prof S James
  s.james@qub.ac.uk NMR Spectroscopy: Basic Concepts And Application To Inorganic Chemistry: 7 lectures, 2 seminars and 2 workshops.
  Dr Cristina Lagunas
  c.lagunas@qub.ac.uk Symmetry and Vibrational Spectroscopy: 7 lectures, 2 seminars and 2 workshops. Mass spectrometry, GC and HPLC: 4 Lectures, 1 seminar and 1 workshop
  Dr. P. Knipe
  p.knipe@qub.ac.uk NMR Spectroscopy; Application to Organic Chemistry: 3 Lectures, 1 seminar and 1 workshop
  Prof. P. Nockemann
  p.nockemann@qub.ac.uk Crystal Chemistry, X-Ray Diffraction And Crystallography: 7 Lectures, 2 seminars and 2 workshops
  
  
  Summary of Lecture Content if applicable:
  
  1. SYMMETRY, VIBRATIONAL SPECTROSCOPY AND MASS SPECTROMETRY
  Lecturer: Dr. Cristina Lagunas E-mail address: c.lagunas@qub.ac.uk
  7 Lectures, 2 seminars and 2 workshops.
  
  Detailed synopsis:
  
  Basic concepts of symmetry
  Molecular shape. Symmetry operations and elements. Stereochemistry.
  Introduction to spectroscopic techniques
  
  Vibrational spectroscopy
  Basic concepts. Interpretation of spectra. Characteristic organic groups frequencies. Characteristic frequencies of common ligands in metal complexes.
  
  Mass Spectrometry
  Introduction to mass spectrometry. Instrumentation and ionisation techniques. Base peaks, fragmentations, molecular ion and molecular formula determination.
  
  Recommended text books:
  Shriver & Atkins, Inorganic Chemistry, 4th Ed., Chapters 6 and 7, Oxford University Press.
  Duckett and Gilbert, Foundations of Spectroscopy, Oxford Chemistry Primer, O.U.P., 2000.
  Brisdon, Inorganic Spectroscopic Methods, Oxford Chemistry Primer 62, O.U.P., 1998.
  
  2. NMR SPECTROSCOPY: BASIC CONCEPTS AND APPLICATION TO INORGANIC CHEMISTRY
  Lecturer: Dr. S. James E-mail address: s.james@qub.ac.uk
  7 Lectures, 2 seminars and 2 workshops.
  
  Detailed synopsis:
  
  Revision of Magnetism
  Spin, the Electromagnetic Spectrum and Boltzmann Distribution.
  Chemical Shift and factors that affect it; Shielding Constant.
  Continuous Wave and Fourier Transform NMR Spectroscopy.
  Relaxation. Coupling. Satellites.
  Examples of NMR Spectroscopy applied to Inorganic Chemistry: 19F, 31P, 195Pt., etc.
  
  Recommended text books:
  Shriver & Atkins, Inorganic Chemistry, 4th Ed., Chapter 6, Oxford University Press.
  Brisdon, Inorganic Spectroscopic Methods, Oxford Chemistry Primer 62, O.U.P., 1998.
  Iggo, NMR Spectroscopy in Inorganic Chemistry, Oxford Chemistry Primer 83, O.U.P., 1999.
  Macomber, A Complete Introduction to Modern NMR Spectroscopy, Wiley-Interscience, 1998.
  
  3. NMR SPECTROSCOPY: APPLICATION TO ORGANIC CHEMISTRY
  Lecturer: Dr. P. Stevenson E-mail address: p.stevenson@qub.ac.uk
  7 Lectures, 2 seminars and 2 workshops.
  
  Detailed synopsis:
  
  1H NMR Spectroscopy.
  Variation of proton chemical shift with molecular environment. Effect of electronegativity and magnetic anisotropy on chemical shift. 1H chemical shifts of common functional groups and integration. Scalar coupling, and its effect on proton NMR spectra. Magnetic equivalence and the n+1 rule. Use of Pascal’s Triangle to predict intensities of multiplets. Angular dependence of coupling constants and the Karplus equation. Analysis of simple multiplets and of multiplets containing more than one coupling constant. Brief introduction to second order systems AB and ABX. Use of coupling constants to determine connectivity patterns and hence molecular structure. Decoupling.
  
  13C NMR Spectroscopy.
  13C chemical shifts of common functional groups. Prediction of 13C chemical shifts using empirical formulae. Relative intensity of 13C signals. DEPT and APT will be introduced for assigning methyl, methylene, methine and quaternary carbons.
  
  Recommended text books:
  Shriver & Atkins, Inorganic Chemistry, 4th Ed., Chapter 6, Oxford University Press.
  Williams and Fleming, Spectroscopic Methods in Organic Chemistry, McGraw Hill.
  
  4. CRYSTAL CHEMISTRY, X-RAY DIFFRACTION AND CRYSTALLOGRAPHY
  Lecturer: Dr. P. Nockemann E-mail address: p.nockemann@qub.ac.uk
  7 Lectures, 2 seminars and 2 workshops.
  
  Detailed synopsis:
  
  Crystal Chemistry
  Classification of solids. Structures of molecular, ionic, covalent and metallic crystals. Lattices, lattice points, unit cells and cell dimensions. Crystal systems and Bravais lattices. Crystal symmetry and symmetry elements. Point groups and space groups. Miller indices.
  Diffraction of X-Rays by Crystals
  Production and diffraction of X-rays. The Bragg equation. Scattering of X rays by atoms and by unit cells. Variation in diffraction intensity. Electron density. The phase problem. Structural factors. Solution and refinement of crystal structures. Experimental methods.
  
  Powder Diffraction (XRD)
  Microcrystalline aggregates. The Debye-Scherrer Method. Uses of XRD – advantages and limitations. Ab initio structure determination from powder data – the Rietveld method.
  Neutron, Synchrotron and Electron Diffraction
  Uses and limitations.
  Taught by external lecturer Tristan Youngs from the ISIS Neutron Source in Oxfordshire.

  Learning Outcomes

  By the end of this course students should be able to:
  i) Know the principles of molecular symmetry and be able to classify molecules according to their symmetry. Know the structures of simple solids.
  ii) Know the principles of mass spectrometry, IR and NMR spectroscopy, and X-ray diffraction, and understand what information each technique provides.
  iii) Be able to derive the structures of organic and inorganic compounds by a combination of analytical and spectroscopic techniques.

  Skills

  SLearners are expected to demonstrate the following on completion of the module:
   Subject specific problem-solving skills in workshops (includes team working).
   Working with numbers, including data handling and calculation.

  Coursework

  100%

  Examination

  0%

  Practical

  0%

  Credits

  20

  Module Code

  CHM2002

  Teaching Period

  Autumn

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Core

• Year 3

  Core Modules

  Full Year Study Abroad (120 credits)

  ×

  Full Year Study Abroad

  Overview

  In liaison with their Advisor of Studies and the Module Co-ordinator the student will select appropriate courses in the host institution equivalent to 120 CATS points. See also Outcomes.

  Learning Outcomes

  The selected courses must match the learning outcomes of the equivalent Level 3 modules from the Queen’s University MSci programme as closely as possible and must be approved by the Module Co-ordinator and Director of Education before permission to accept the placement will be granted.

  Skills

  to be advised

  Coursework

  100%

  Examination

  0%

  Practical

  0%

  Credits

  120

  Module Code

  CHM3020

  Teaching Period

  Full Year

  Duration

  24 weeks

  Pre-requisite

  No

  Core/Optional

  Core

• Year 4

  Core Modules

  Chemical Research Project (60 credits)

  ×

  Chemical Research Project

  Overview

  Module Co-ordinator: Dr Peter Knipe (p.knipe@qub.ac.uk)
  Staff: All chemistry academic staff
  Contribution: Directing research project
  
  Course Content:
  
  Mid-term Interview 15%:
  Students will be asked to prepare a literature review which will eventually become the introduction to their theses. A 1-2 page outline of the review should be submitted in November for guidance and feedback from the supervisor. A draft of the literature review should be handed in by early December. The student must also submit a 2-page summary report in December on their research including background to the project and the results obtained to date. The student will then be questioned based on their report during the interview later in December (unless otherwise agreed with the supervisor and module coordinator).
  The 2-page summary report and literature review should be submitted digitally via Canvas (in .pdf or .doc(x) format), where Turnitin® will be used to check for plagiarism.
  A mark for the performance in the interview (66%) will be given by the supervisor and second assessor. The final literature review (33%) will be given a mark by the supervisor. The supervisor will also provide feedback on the interview and literature review.
  The student will be asked to bring their lab-books and associated data (such as spectra) to the December interview. The interviewers will assess the level of record keeping and thoroughness of research and give feedback and recommendations to improve or alter the student record keeping.
  Lab-Book, Data & Record Keeping 10%:
  The lab book and data will be marked by both the supervisor and the second assessor and an average of the marks used for the final total. The students will submit alongside their thesis their lab notebook and an electronic copy of their supplementary data (such as calculations or spectra) on a CD or USB.
  Thesis 60%:
  The thesis will be marked by both the supervisor and the second assessor and an average of the marks used for the final total (except the Independence of Work section, which is marked by the supervisor alone). Further guidance on the thesis is in the module handbook, but the marking will be split into four sections:
  Introduction (25% of thesis mark)
  Results and Discussion (40% of thesis mark)
  Experimental/Methods (30% of thesis mark)
  Independence of Work (10% of thesis mark) [marked by supervisor only]
  The student should submit a draft of their thesis to their supervisor to receive feedback prior to their final submission. Please discuss with your supervisor and arrange a suitable date that will allow timely feedback. Submitting a draft earlier and receiving feedback earlier may be beneficial to both the student and the supervisor. Please note that supervisors should NOT be reviewing multiple drafts of the thesis. Students submitting high quality work that requires minimal feedback at this stage are likely to gain a higher Independence of Work mark.
  The thesis should be submitted digitally via Canvas (in .pdf or .doc(x) format), where Turnitin® will be used to check for plagiarism.
  Presentation 15%:
  The presentation will take the form of a 15 minute PowerPoint presentation plus 10 minutes of questioning on the presentation. This will take place near the end of the project and there will be parallel session based on research areas. These presentations will be attended by the academic staff in the area who will mark the presentations. It is advised that the students prepare well in advance and deliver a practice talk so that feedback/guidance may be given.
  Notes:
  Detailed marking schemes are in the module handbook on Canvas.
  Exact dates/timetable will be posted on Canvas in the module handbook.
  The mid-term report, literature review and thesis MUST be handed in to the front office for date stamping as well as submission via Canvas. For late submissions, marks will be deducted in accordance with QUB regulations.

  Learning Outcomes

  During the course of the year you will be embedded in one of the department's research groups, and will undertake a piece of original research. Through this experience you should achieve the following learning outcomes:
  • Ability to conduct independent research
  • Discipline-specific expertise (e.g. advanced laboratory techniques if undertaking a synthetic project)
  • Literature searching
  • Preparation and delivery of a research presentation
  • Formal report writing
  • Interview practice
  • Laboratory record-keeping

  Skills

  Skills associated with module:
  Both practical and literature research will be involved and the student will have to conduct a viva voce style interview, write a thesis and present their research to their peers. The skills developed through both conducting the research and the associated assessment method should allow the student to conduct research at a higher level (e.g. PhD or in industry). The December interview and the research presentation will give the student invaluable experience for future interviews, both for industrial jobs or postgraduate degree courses

  Coursework

  100%

  Examination

  0%

  Practical

  0%

  Credits

  60

  Module Code

  CHM4001

  Teaching Period

  Full Year

  Duration

  24 weeks

  Pre-requisite

  No

  Core/Optional

  Core

  Optional Modules

  Advanced Inorganic Chemistry (20 credits)

  ×

  Advanced Inorganic Chemistry

  Overview

  Module Structure:
  a) Supramolecular Chemistry: Prof. Stuart James
  b) Lanthanides and Actinides – Chemistry & Applications: Dr. Peter Nockemann
  c) Structural Analysis Methods for Soft inorganic Materials: Dr. John Holbrey
  d) Selective Oxidation Reactions: Dr. Mark Muldoon
  
  Summary of Lecture Content:
  
  A. SUPRAMOLECULAR CHEMISTRY (8 lectures)
  Lecturer: Prof. S. L. James, s.james@qub.ac.uk
  
  Summary:
  • Introduction: Historical background, including the development of covalent synthesis. Cram, Pedersen, Lehn – chemistry beyond the molecule, molecular recognition. The biological analogy and inspiration. Definitions: supramolecular, supermolecule, self-assembly. The various types of intermolecular interactions: hydrogen-bonds, van der Waals forces, coordination bonds (can be thought of as intermolecular in some sense), aromatic interactions. Interaction strengths, distances, directionalities. Hydrophobic effect.
  • Self-assembly: A method to make large structures in a single step. Importance of thermodynamic control (equilibria) to give a single product quantitatively. Contrast with standard non-quantitative covalent synthesis of kinetic products. Examples of reversible interactions, van der Waals, hydrogen bonds, aromatic interactions and coordination bonds. Very few examples of reversible C-C bond formation.
  • Coordination self-assembly: Large discrete structures: squares, hexagons, cubes, adamantoid (tetrahedra), octahedra. Importance of ligand exchange rates – labile metals with low crystal field stabilisation energy. Relation of metal geometry/symmetry and ligand geometry/symmetry to final product. Polymers: diamandoid topology, interpenetration, and porosity.
  • Hydrogen-bond based self assembly: Donors, acceptors, ADA-DAD combinations, melamine-polymers. Association in solution. Single, double, triple H-bonding and solvent effects. Supramolecular catalysts. Host-guest chemistry: Calixarenes, cyclodextrins (Febreze). Purification of C60 (Atwood). Cooperative guest binding, Shinkai face-to-face porphyrins, the wheel-and axle design.
  
  
  B. Lanthanides and Actinides – Chemistry & Applications (8 lectures)
  Lecturer: Dr. Peter Nockemann, p.nockemann@qub.ac.uk
  Summary:
  • Coordination complexes of lanthanide and actinide ions (f-block elements)
  • Separation and purification of lanthanides and actinides
  • Electronic spectra and luminescence of lanthanides and actinides
  • Applications of lanthanide luminescence (OLEDs, medicine, sensors)
  • Magnetism of lanthanides and actinides & applications
  • Organometallic lanthanide compounds and applications in organic synthesis
  
  Recommended reading:
  Shriver & Atkins, Inorganic Chemistry, 5th edition, Oxford University Press, 2010, chapter 23.
  C. Huang, Rare Earth Coordination Chemistry – Fundamentals and Applications, Wiley, 2010.
  Current scientific literature and references given throughout the course.
  
  
  
  
  
  
  
  
  
  C. Structural Analysis Methods for Soft inorganic Materials: (8 Lectures)
  
  Lecturer: Dr. John Holbrey, j.holbrey@qub.ac.uk
  
  Summary:
  Determining the structure of molecules is a fundamental skill. The course is designed to enable students to interpret experimental data and understand the techniques used in modern materials chemistry to determine structure in soft (non-crystalline) materials. Emphasis will be placed on complementary and comparative understanding to enable decisions to be made about the most appropriate techniques to be applied to particular structural problems and how experimental data is transformed into structural information.
  Techniques to be covered will include nuclear magnetic resonance spectroscopy, electron paramagnetic resonance spectroscopy, rotational and vibrational spectroscopy, electronic spectroscopy, and X-ray and neutron diffraction.
  
  
  Recommended Reading:
  'Structural Methods in Molecular Inorganic Chemistry' DWH Rankin, NW Mitzel, CA Morrison, Wiley, 2113. ISBN: 978-0-470-97278-6
  
  The course will be illustrated using examples from the current scientific literature and references will be given throughout the course.
  
  
  
  
  
  D. Selective Oxidation Reactions (8 lectures)
  Lecturer: Dr. Mark Muldoon, m.j.muldoon@qub.ac.uk
  
  Summary:
  Oxidation chemistry is fundamentally important in the synthesis of fine chemicals and pharmaceuticals. The area of oxidation chemistry is wide and varied; therefore the course will focus on just some aspects of the field. Topics will include:
  • The properties of dioxygen
  • Singlet oxygen and reactions thereof
  • Transition metal catalysis for selective oxidation reactions
  
  Recommended reading:
  For a general overview of oxidation catalysis:
  • “Modern oxidation methods” edited by Jan-Erling Bäckvall. Electronic copy available via QUB library.
  • Chapter 4 of “Green chemistry and catalysis” Roger A. Sheldon, Isabel Arends and Fred Van Rantwuk. Electronic copy available via QUB library.
  However, much of the course will utilise current scientific literature and references will be given throughout the course.

  Learning Outcomes

  Upon completion of the course, the students will have explored a series of topics of current international interest in inorganic chemistry, using the primary literature. They will have been exposed to the relationship between research and application of chemistry, and learn important scientific techniques used to investigate inorganic chemistry problems.

  Skills

  Application of fundamental chemistry principles to the progression of advanced areas of chemistry research, critical thinking and communication skills.

  Coursework

  0%

  Examination

  100%

  Practical

  0%

  Credits

  20

  Module Code

  CHM4005

  Teaching Period

  Full Year

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Optional

  Advanced Physical Chemistry (20 credits)

  ×

  Advanced Physical Chemistry

  Overview

  Staff:
  Professor S. Bell
  s.bell@qub.ac.uk EXCITED STATE CHEMISTRY (5 Lectures and 1 seminar)
  Dr P. Dingwall
  p.dingwall@qub.ac.uk HOMOGENEOUS CATALYSIS AND KINETICS (7 Lectures, 1 workshop)
  Dr. M. Huang (Module co-ordinator)
  m.huang@qub.ac.uk COMPUTATIONAL CHEMISTRY (9 Lectures, 1 seminar and 3 workshops)
  Dr I.Lane
  i.lane@qub.ac.uk REACTION DYNAMICS (9 Lectures):
  
  
  REACTION DYNAMICS (9 Lectures):
   Introduction
   Background revision of quantum theory and classical physics: simple collisions (classical) as a model of chemical reactions: gas phase collisions: a very simple collision theory: definition of reaction cross-section: connection between cross-section and rate of reaction.
   Theoretical methods
   Newton diagrams and kinematics: semi-classical scattering picture of reaction dynamics.
   Symmetry and calculation of potential energy surfaces: reduced mass and trajectories: Polanyi’s rules
   Experimental methods
   State-to-state reaction dynamics: molecular beams: laser-based preparation and detection techniques: multiple reaction pathways.
  
  COMPUTATIONAL CHEMISTRY (9 Lectures and 1 seminar):
   Force field methods.
   Semi-empirical methods.
   Hartree-Fock method.
   DFT and CI.
   Molecular dynamics
  
  HOMOGENEOUS CATALYSIS AND KINETICS (7 Lectures, 1 workshop):
   Catalysis
   Energetic diagrams
   Rate equations
   Limiting cases
   Kinetic studies
  
  EXCITED STATE CHEMISTRY (5 Lectures and 1 seminar):
   Populating molecular excited states.
   Photophysical and photochemical decay mechanisms, Jablonski diagrams.
   Rates of excited state processes, lifetimes and quantum yields.
   Quenching of excited states, Stern-Volmer plots, energy transfer.
   Experimental measurement of fast processes, flash photolysis and pump-probe techniques.
   Ultrafast reactions and the limits of chemical reactivity.

  Learning Outcomes

  Learning outcomes:
   On completion of this module the students will have an understanding of (i) basic foundations of quantum theory; (ii) some simulation techniques; (iii) kinetics and homogeneous catalysis; and (iv) excited state process of molecules.
   In particular, students will be able to:
   Use some computing programs to calculate important properties in chemistry, such as the structures of molecules and solids and bonding energies.
   Construct and read energetic diagrams, identifying the rate-determining step and catalyst resting state
   Derive the rate law for a catalytic cycle and use it to discriminate between different likely mechanistic proposals.
   Understand and design experiments to extract relevant information from a catalytic reaction using graphical rate equation methods.

  Skills

  At the skills level, the module focuses on abilities relating to numerical problem solving in which practice is given in the fields of kinetics, photochemistry, quantum chemistry and quantum mechanics.

  Coursework

  10%

  Examination

  90%

  Practical

  0%

  Credits

  20

  Module Code

  CHM4003

  Teaching Period

  Full Year

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Optional

  Frontiers in Drug Development (Medicinal Chemistry 4) (20 credits)

  ×

  Frontiers in Drug Development (Medicinal Chemistry 4)

  Overview

  Staff and contribution
  
  Dr S. Cochrane (s.cochrane@qub.ac.uk)
  Module Co-ordinator.
  Antimicrobial Compounds and Targets (8 lectures and 1 revision class); Antibody-Drug Conjugates (5 lectures and 1 revision class).
  Dr G. Cotton - Head of Protein Therapeutics at Almac Discovery (graham.cotton@almacgroup.com)
  Antibody-Drug Conjugates (1 lecture).
  Dr J. Vyle (j.vyle@qub.ac.uk)
  Nucleic Acid Drugs (6 Lectures and 1 revision class).
  Dr P. Knipe (p.knipe@qub.ac.uk)
  Late-Stage Functionalization (8 lectures and 1 workshop).
  Almac Discovery.
  Dr C. O’Dowd (colin.odowd@almacgroup.com)
  & other Almac Discovery Staff
  An Industrial Perspective on Frontiers in Drug Development (4 Lectures and the Dr Cotton lecture).
  
  Detailed contents:
  Antimicrobial Compounds and Targets (8 lectures and 1 revision class):
  1.1. Introduction to antibiotics and antimicrobial resistance. Learn the key differences between prokaryotes and eukarotyes that allow for selectivity of antibiotics and the common categories of antimicrobial resistance.
  1.2. Common cellular targets of antibiotics. Learn the major enzymes and biomolecules involved in cell-wall synthesis, protein synthesis, nucleic acid synthesis and the cell membrane. Understand the mechanisms by which these enzymes function.
  1.3. Classical antibiotics. Learn the mechanism of action of several important classes of antibiotics, including fosfomycins, D-cycloserine, β-lactams, glycopeptides, antimicrobial peptides, macrolides, aminoglycosides, tetracyclines, chloramphenicol, ansamycins and fluoroquinolines. Resistance mechanisms against these classes of antibiotics will also be covered.
  1.4. Methods to determine the mode and mechanism of action of a novel antimicrobial compound. Learn Key techniques used to determine the mode of action of antibiotics, including bactericidal kinetics assays and radiolabeled metabolite incorporation. Learn common methods used to identify mechanism of action, including cell morphology, in vitro enzyme assays, isothermal titration calorimetry, protein X-ray crystallography and membrane-disruption assays.
  1.5. Rational design to overcome drug resistance. Learn the main strategies used to circumvent known anrimicrobial resistance mechanisms through case studies, including the generation of new β-lactams, β-lactamase inhibitors and the chemical synthesis of novel analogues of vancomycin, tunicamycin, erythromycin and acrylomycin.
  1.6. Novel strategies to identify new antibiotics. Cover state-of-the-art methods used to uncover new antibiotic candidates, including novel bacterial-culturing techniques and genome-mining.
  
  Nucleic Acid Drugs (6 Lectures and 1 revision class):
  2.1. mRNA vaccines
  2.2. Nucleic acid vaccine adjuvants
  2.3. Identification of novel nucleic acid inhibitors through SELEX
  
  Late-Stage Functionalization (8 lectures and 1 workshop):
  3.1. Why Late-Stage Functionalization? Learn about the C-H bond as a functional group and the utility of LSF in the context of the drug discovery pipeline (probe development, pull-down experiments, lead optimization and ADME. Also cover practical considerations, including purification, analysis and high-throughput screening.
  3.2. Guiding Principles in C-H Activation. Learn the concepts of innate vs guided C-H functionalizations and key factors in innate reactivity, including electronics (knowledge of nucleophilic and electrophilic positions of arenes, factors that stabilize radical intermediates etc.) and acidity (C-H functionalization by deprotonation). Guided reactivity classes, such as the concept of directing groups (high local concentration of reagent), steric control and molecular recognition. Understand methods to predict sites of C-H functionalization (e.g. DFT).
  3.3. LSF of sp2 carbons exploiting innate reactivity. Regioselectivity in nucleophilic and electrophilic aromatic substitutions (and their radical analogues), recent advances relating to pyridines (e.g. McNally 4-functionalization of pyridines, Phipps’ Minisci chemistry, Fier method and borylation chemistry.
  3.4. Directed approaches to LSF of sp2 carbons. Ortho-functionalization by directing groups (classical Pd C-H activation using e.g. 2-pyridines), meta-insertion using directing groups and molecular recognition (e.g. Phipps), steric control and recent vancomycin work (Miller, Pentelute).
  3.5. C-H Functionalization of innately reactive sp3 carbons. H-abstraction/metal insertion at electron-rich C-H bonds (tertiary; adjacent to heteroatoms etc.) with subsequent C-X and C-C bond formation, deprotonation, e.g. lithiation-trapping of cyclic carbamates – e.g. Hodgson sparteine method; Seidel’s 2018 nucleophilic method, oxidation e.g. White’s Fe-(PDP) catalyst and carbene and nitrene insertions.
  3.6. The Holy Grail: Directed C-H functionalization of sp3 carbons. A classical directed approach – the Hoffmann-Loffler-Freytag reaction; modern variants e.g. Yu ACIE 2017 306, specific directing groups, e.g. oximes (Chang JACS 2014), transient directing groups, e.g. work of Yu (JACS 2016 14554) and future perspectives on LSF.
  
  Antibody-Drug Conjugates (6 lectures and 1 revision class):
  4.1. Introduction to Antibodies. Learn what antibodies are, their structure (IgG), their therapeutic mechanisms and how they are produced and purified.
  4.2. Key Concepts in Antibody-Drug Conjugates. Learn the key components of an antibody-drug conjugate, common methods to conjugate drugs to antibodies, common linkers used in ADCs and common payloads.
  4.3. ADCs, a Look to the Future. Guest lecture by Dr. Graham Cotton from Almac Discovery on where the area is and where it’s heading.
  
  An Industrial Perspective on Frontiers in Drug Development (4 Lectures):
  5.1. Medicinal Chemistry in Action. Staff from Almac Discovery will cover cutting-edge topics including case studies on recent Medicinal Chemistry programmes and process development from a pharma perspective.

  Learning Outcomes

  Medicinal chemists are responsible for the design of new molecules to treat disease, improving human health and prolonging life-expectancy. On completion of this module, you will have acquired advanced knowledge in the field of medicinal chemistry with an emphasis on cutting-edge methods in drug discovery and the synthesis of pharmaceutical agents.
  By the end of this course, you should be able to:
  Critically evaluate an antimicrobial compound, suggesting experiments to determine its mode/mechanism of action, relate its structure to possible resistance mechanisms and propose strategies to overcome such mechanisms.
  Contrast classical methods in antibiotic discovery with current state-of-the-art approaches.
  Describe the chemistry and biology associated with mRNA-based drugs and vaccines.
  Propose strategies to perform the late-stage functionalization of natural products/drug-lead candidates and suggest detailed mechanisms for the methods covered in this course.
  Understand the importance of antibodies as therapeutic agents, how they are produced and their structure.
  Know the key components of antibody-drug conjugates and mechanistic details of conjugation strategies, linkers and different types of drug payload.

  Skills

  Important skills will be gained on the critical evaluation of scientific methods and studies, the application of synthetic methods to novel structures and the ability to consider medicinal/biological problems from a chemistry perspective.
  Subject specific and problem-solving skills will also be gained, including the demonstration of self-direction, independent learning ability and originality in completion of practice problems.

  Coursework

  0%

  Examination

  100%

  Practical

  0%

  Credits

  20

  Module Code

  CHM4007

  Teaching Period

  Full Year

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Optional

  Advanced Organic Synthesis (20 credits)

  ×

  Advanced Organic Synthesis

  Overview

  STAFF
  NAME and CONTRIBUTION:
  
  1. Synthetic Strategy (6 lectures) – Dr McLaughlin
  • The concept of disconnection as a strategic framework for designing synthetic routes to complex molecules.
  • The distinction between strategic and tactical considerations
  • The concepts of “synthons” and “functional group interconversion”
  • Protecting groups.
  
  2. Asymmetric Synthesis and Catalysis (10 lectures) – Dr Berney
  • The importance of stereocontrolled synthesis
  • The concept of chiral auxiliaries exemplified by the Evans auxiliary.
  • Asymmetric organocatalysis – enamine/iminium activation modes, chiral Brønsted acid catalysis.
  • Asymmetric transition metal catalysis – examples may include Tsuji-Trost, Sharpless, Jacobsen, CBS reduction, Krische allylation, Noyori reduction.
  
  3. Enabling Technologies for Synthesis (5 Lectures, 1 workshop) – Dr Dingwall
  • Photochemistry: excitation, luminescence, single/triplet states, electron transfer. Key reactions: photoredox chemistry, photoinduced radical chemistry
  • Electrochemistry: electron transfer, oxidation/reduction processes, electrode potentials and Faraday's laws, practical electrochemical setups. Key reactions: electrosynthesis, mediated electrochemical reactions, and electrochemical functionalisation.
  • Mechanochemistry: energy transfer through mechanical force, bond activation without solvents, ball milling vs twin screw extrusion. Key reactions: solventless reactions, accessing unfavoured products, mechanoredox chemistry
  • Continuous flow chemistry: reasons for use, reactor design, flow regimes (Reynolds number). Key reactions: telescoping, “flash” chemistry
  • Statistical modelling, machine learning, and artificial intelligence: synthesis planning, data-driven insights, predictive modelling, optimisation. Key applications: process design and optimisation, reaction outcome prediction, catalyst design.
  
  4. Advanced Pericyclic Chemistry (4 Lectures, 1 workshop) – Dr Knipe
  • Molecular Orbital Theory, Woodward-Hoffmann Rules and their origin in correlation diagrams.
  • Cycloadditions: Endo/exo selectivity, secondary orbital effects, Diels-Alder reaction, 1,3-dipolar cycloadditions, transannular Diels-Alder, inverse electron demand systems, stereoselectivity and stereospecificity
  • Electrocylizations: Con/disrotatory, electrocyclic ring openings, cascade electrocyclic reactions.
  • Sigmatropic Rearrangements: Claisen and Cope reactions, carbon and hydride shift reactions, other sigmatropic rearrangements, suprafacial / antarafacial selectivity.
  • Group Transfer Reactions: Ene reaction, diimide reductions and thermal eliminations
  
  5. Applied Supramolecular Chemistry (6 lectures) – Dr Crory
  · The study of intermolecular interactions including non-covalent and dynamic covalent bonding interactions.
  · Investigation into the design of supramolecular processes which provide solutions for real-world issues, including literature examples on the following topics:
  o Drug delivery and medicinal applications: Controlled release of drugs, antimicrobial materials, targeted therapies.
  o Smart materials and sensors: stimuli responsive materials, self-healing materials, soft robotics, sensors and detection.
  o Catalysis and nanoreactors: switching on/off function, increasing reaction selectivity.
  · Critical evaluation of literature and presentation skills (lecture/workshop).
  
  Topic 5 to be assessed by coursework, with the other topics to be covered in the examination. The coursework will take the form of an assessed presentation on a recent research paper in the area of supramolecular chemistry.

  Learning Outcomes

   On completion of this module the students will:
   Have an understanding of the logic and methodology
  employed in contemporary organic synthesis.
   Be able to identify key disconnections in molecules
  containing multiple chiral centres and double bonds, to deal
  creatively with new scenarios and to provide reagents and
  mechanisms to achieve desired transformations.
   Be able to propose detailed mechanisms, stereochemical
  models and were possible predict the stereochemical
  outcome for stereoselective reactions.
   Understand the role of emerging and enabling technologies
  and their strengths and weaknesses in enabling organic
  synthesis
   Identify supramolecular design principles and critically evaluate research examples.

  Skills

  Enhanced problem solving skills in organic chemistry.

  Coursework

  20%

  Examination

  80%

  Practical

  0%

  Credits

  20

  Module Code

  CHM4002

  Teaching Period

  Full Year

  Duration

  12 weeks

  Pre-requisite

  No

  Core/Optional

  Optional

Entrance requirements

A level requirements

AAA including Chemistry and a second Science subject + GCSE Mathematics grade B/6.

A maximum of one BTEC/OCR Single Award or AQA Extended Certificate will be accepted as part of an applicant's portfolio of qualifications with a Distinction* being equated to a grade A at A-level.

Irish leaving certificate requirements

H2H2H3H3H3H3 including Higher Level grade H2 in Chemistry and a second Science subject + if not offered at Higher Level then Ordinary Level grade O3 in Mathematics

International Baccalaureate Diploma

36 points overall including 6,6,6 at Higher Level to include Higher Level Chemistry and a second Science subject + GCSE Mathematics grade B/6.

Standard Level grade 5 in Mathematics would be acceptable in lieu of the GCSE requirement.

Graduate

A minimum of a 2:2 Honours Degree, provided any subject requirements are also met.

Note

All applicants must have GCSE English Language grade C/4 or an equivalent qualification acceptable to the University.

All applicants

Acceptable second Science subjects:
Biology, Computer Science, ICT (not Applied), Environmental Science, Environmental Technology, Geography, Geology, Mathematics, Physics, Technology & Design.

How we choose our students

In addition, to the entrance requirements above, it is essential that you read our guidance below on 'How we choose our students' prior to submitting your UCAS application.

Applications are dealt with centrally by the Admissions and Access Service rather than by the School of Chemistry and Chemical Engineering. Once your on-line form has been processed by UCAS and forwarded to Queen's, an acknowledgement is normally sent within two weeks of its receipt at the University.

Selection is on the basis of the information provided on your UCAS form. Decisions are made on an ongoing basis and will be notified to you via UCAS.

For entry last year, applicants for MChem programmes in Chemistry offering A-level/BTEC Level 3 qualifications must have had, or been able to achieve, a minimum of six GCSE passes at grade B/6 or better to include Mathematics (minimum grade C/4 required in GCSE English Language). However, this profile may change from year to year depending on the demand for places. The Selector also checks that any specific entry requirements in terms of GCSE and/or A-level subjects can be fulfilled.

Offers are normally made on the basis of three A-levels. Applicants repeating A-levels require grades BBC at the first attempt. Grades may be held from the previous year.

Applicants offering two A-levels and one BTEC Subsidiary Diploma/National Extended Certificate (or equivalent qualification) will also be considered. Offers will be made in terms of performance in the overall BTEC grade awarded. Please note that a maximum of one BTEC Subsidiary Diploma/National Extended Certificate (or equivalent) will be counted as part of an applicant’s portfolio of qualifications. The normal GCSE profile will be expected.

For applicants offering the Irish Leaving Certificate, please note that performance at Irish Junior Certificate (IJC) is taken into account. For last year’s entry, applicants for this degree must have had a minimum of six IJC grades at B/Higher Merit. The Selector also checks that any specific entry requirements in terms of Leaving Certificate subjects can be satisfied.

Applicants offering Higher National Certificates and Higher National Diplomas are not normally considered for MChem entry but, if eligible, will be made a change course offer for the corresponding BSc programme.

Access course qualifications are not considered for entry to the MChem degree and applicants should apply for the corresponding BSc programme.

The information provided in the personal statement section and the academic reference together with predicted grades are noted but, in the case of degree courses in Chemistry, these are not the final deciding factors in whether or not a conditional offer can be made. However, they may be reconsidered in a tie break situation in August.

A-level General Studies and A-level Critical Thinking would not normally be considered as part of a three A-level offer and, although they may be excluded where an applicant is taking four A-level subjects, the grade achieved could be taken into account if necessary in August/September.

Candidates are not normally asked to attend for interview.

If you are made an offer then you may be invited to a Faculty/School Visit Day, which is usually held in the second semester. This will allow you the opportunity to visit the University and to find out more about the degree programme of your choice and the facilities on offer. It also gives you a flavour of the academic and social life at Queen's.

If you cannot find the information you need here, please contact the University Admissions and Access Service (admissions@qub.ac.uk), giving full details of your qualifications and educational background.

International Students

Our country/region pages include information on entry requirements, tuition fees, scholarships, student profiles, upcoming events and contacts for your country/region. Use the dropdown list below for specific information for your country/region.

Please Select Your Country/Region Please Select Your Country/Region Afghanistan Albania Algeria Angola Argentina Armenia Australia Austria Azerbaijan Bahrain Bangladesh Barbados Belarus Belgium Belize Benin Bolivia Bosnia And Herzegovina Botswana Brazil Brunei Bulgaria Cambodia Cameroon Canada Chile China Mainland Colombia Costa Rica Croatia Cuba Cyprus Czech Republic Denmark Djibouti Ecuador Egypt Eritrea Estonia Ethiopia Fiji Finland France Georgia Germany Ghana Greece Guyana Haiti Honduras Hong Kong (SAR) Hungary Iceland India Indonesia Iran Iraq Ireland Israel Italy Ivory Coast Jamaica Japan Jordan Kazakhstan Kenya Kosovo Kuwait Kyrgyzstan Latvia Lebanon Liberia Libya Lithuania Luxembourg Macau (SAR) Madagascar Malawi Malaysia Malta Mauritius Mexico Mongolia Morocco Mozambique Myanmar Namibia Nepal Netherlands New Zealand Nigeria Norway Oman Pakistan Palestine Panama Paraguay Peru Philippines Poland Portugal Puerto Rico Qatar Romania Russia Rwanda Saudi Arabia Sierra Leone Singapore Slovakia Slovenia South Africa South Korea Spain Sri Lanka St Vincent And The Grenadines Sudan Sweden Switzerland Syria Taiwan Tajikistan Tanzania Thailand Trinidad and Tobago Tunisia Turkey Uganda Ukraine United Arab Emirates Uruguay USA Uzbekistan Venezuela Vietnam Yemen Zambia Zimbabwe

English Language Requirements

An IELTS score of 6.0 with a minimum of 5.5 in each test component or an equivalent acceptable qualification, details of which are available at: http://go.qub.ac.uk/EnglishLanguageReqs

Career Prospects

Introduction

Studying for the MChem Chemistry with Study Abroad will assist you in developing the core skills and employment-related experiences that are valued by employers, professional organisations and academic institutions. Graduates from this degree at Queen's are well regarded by many employers (local, national and international) and over half of all graduate jobs are now open to graduates of any discipline, including chemistry.
Chemistry with Study Abroad graduates have entered careers in a wide variety of fields, including the pharmaceutical and fine chemical industry, the forensic services, publishing, marketing, teaching and the financial services.


Employer Links and Consultations:
We regularly consult and develop links with a large number of employers including, for example, Teva, Almac, and Seagate and also have an Industrial Advisory board for the course composed of experienced senior industrial members.
Placement Employers

Our past students have also gained work placement with organisations such as:

Teva (Pharmaceuticals) Almac (Pharmaceuticals)
Norbrook (Veterinary pharmaceuticals) Randox (Medical diagnostics)
Seagate
Boehringer Ingelheim (Pharmaceuticals)


Other Employer Links:

Many of the research projects within the School have industrial input, and are in collaboration with a wide variety of companies operating in the chemical sector. Given the close working relationships, between industry and the School of Chemistry and Chemical Engineering new opportunities to expand placements, industrial contact and career opportunities are continually developing.

Degree Plus/Future Ready Award for extra-curricular skills

In addition to your degree programme, at Queen's you can have the opportunity to gain wider life, academic and employability skills. For example, placements, voluntary work, clubs, societies, sports and lots more. So not only do you graduate with a degree recognised from a world leading university, you'll have practical national and international experience plus a wider exposure to life overall. We call this Degree Plus/Future Ready Award. It's what makes studying at Queen's University Belfast special.

Tuition Fees

Northern Ireland (NI) 1	£4,855
Republic of Ireland (ROI) 2	£4,855
England, Scotland or Wales (GB) 1	£9,535
EU Other 3	£25,300
International	£25,300

¹EU citizens in the EU Settlement Scheme, with settled status, will be charged the NI or GB tuition fee based on where they are ordinarily resident. Students who are ROI nationals resident in GB will be charged the GB fee.

² EU students who are ROI nationals resident in ROI are eligible for NI tuition fees.

³ EU Other students (excludes Republic of Ireland nationals living in GB, NI or ROI) are charged tuition fees in line with international fees.

Tuition fee rates are calculated based on a student’s tuition fee status and generally increase annually by inflation. How tuition fees are determined is set out in the Student Finance Framework.

Additional course costs

Students are required to buy a laboratory coat and safety glasses in year 1 at a cost of approx. £20.
Students have the option to join the Royal Society of Chemistry at a cost of approx. £20 per year

Students who undertake a period of study or work abroad, as either a compulsory or optional part of their degree programme, are responsible for funding travel, accommodation and subsistence costs. These costs vary depending on the location and duration of the placement.

All Students

Depending on the programme of study, there may be extra costs which are not covered by tuition fees, which students will need to consider when planning their studies.

Students can borrow books and access online learning resources from any Queen's library. If students wish to purchase recommended texts, rather than borrow them from the University Library, prices per text can range from £30 to £100. Students should also budget between £30 to £75 per year for photocopying, memory sticks and printing charges.

Students undertaking a period of work placement or study abroad, as either a compulsory or optional part of their programme, should be aware that they will have to fund additional travel and living costs.

If a programme includes a major project or dissertation, there may be costs associated with transport, accommodation and/or materials. The amount will depend on the project chosen. There may also be additional costs for printing and binding.

Students may wish to consider purchasing an electronic device; costs will vary depending on the specification of the model chosen.

There are also additional charges for graduation ceremonies, examination resits and library fines.

Scholarships

Each year, we offer a range of scholarships and prizes for new students. Information on scholarships available.

How to Apply

Application for admission to full-time undergraduate and sandwich courses at the University should normally be made through the Universities and Colleges Admissions Service (UCAS). Full information can be obtained from the UCAS website at: www.ucas.com/students.

When to Apply

UCAS will start processing applications for entry in autumn 2025 from early September 2024.

The advisory closing date for the receipt of applications for entry in 2025 is still to be confirmed by UCAS but is normally in late January (18:00). This is the 'equal consideration' deadline for this course.

Applications from UK and EU (Republic of Ireland) students after this date are, in practice, considered by Queen’s for entry to this course throughout the remainder of the application cycle (30 June 2025) subject to the availability of places. If you apply for 2025 entry after this deadline, you will automatically be entered into Clearing.

Applications from International and EU (Other) students are normally considered by Queen's for entry to this course until 30 June 2025. If you apply for 2025 entry after this deadline, you will automatically be entered into Clearing.

Applicants are encouraged to apply as early as is consistent with having made a careful and considered choice of institutions and courses.

The Institution code name for Queen's is QBELF and the institution code is Q75.

Further information on applying to study at Queen's is available at: www.qub.ac.uk/Study/Undergraduate/How-to-apply/

Apply via UCAS 

Terms and Conditions

The terms and conditions that apply when you accept an offer of a place at the University on a taught programme of study. Queen's University Belfast Terms and Conditions.

Additional Information for International (non-EU) Students

1. Applying through UCAS
   Most students make their applications through UCAS (Universities and Colleges Admissions Service) for full-time undergraduate degree programmes at Queen's. The UCAS application deadline for international students is 30 June 2025.
2. Applying direct
   The Direct Entry Application form is to be used by international applicants who wish to apply directly, and only, to Queen's or who have been asked to provide information in advance of submitting a formal UCAS application. Find out more.
3. Applying through agents and partners
   The University’s in-country representatives can assist you to submit a UCAS application or a direct application. Please consult the Agent List to find an agent in your country who will help you with your application to Queen’s University.

Download Undergraduate Prospectus