part iii chemistry course unit directory - university of …€¦ · · 2006-07-19part iii...

THE UNIVERSITY OF MANCHESTER School of Chemistry

Programme Unit Specification

71

Part III Chemistry Course Unit Directory



72

1. GENERAL INFORMATION Title Introductory Chemistry

Unit code CM1101

Credit rating 30 credits

Level

Pre-requisite units

Co-requisite units

Member of staff responsible Prof J Christopher Whitehead

2. AIMS The programme unit aims to: To provide an introduction to the fundamental principles underlying all chemical phenomena, and establish a sound basis for the further study of all branches of Chemistry . 3. CONTENT

Semester 1: Week 1 Introduction to Chemistry (Heads of the Teaching Sections) 3 lectures illustrating the place of Chemistry in the Modern World introduction to the e-learning tutorial support for this course

Weeks 2-6 Foundations of Chemistry (Dr J P Day and Prof R E P Winpenny) the invention of the Periodic Table – Lavoisier to Mendeleev sub-atomic structure – Thompson to Schrödinger the quantum mechanical description of multi-electron atoms bonding and diatomic molecules common simplifications to describe bonding in polyatomic molecules

Weeks 7-9 Molecular Structure, Reactivity and Functionality (Dr T W Wallace and Dr A C Regan) alkanes and cycloalkanes, conformation stereoiomerism mechanisms of reactions, electron movement and distribution curly arrows polarisation, inductive and resonance effects acidity, pKa; stability of anions haloalkanes, synthesis and uses; substitution and elimination reactions ethers, alcohols and amines alkenes, electrophilic addition; stability of carbocations alkynes; comparison with nitriles aldehydes and ketones, carboxylic acids; interconversion between alcohols, aldehydes ketones and carboxylic acids by oxidation and reduction; carboxylic acid derivatives: esters and amides

Weeks 10-12 Properties of Gases. The Quantum World and Spectroscopy, Thermochemistry (Prof M W Anderson and Prof J C Whitehead, 8 lectures) the gas laws perfect gases, real gases and gas mixtures Maxwell distribution of speeds and Maxwell-Boltzmann van der Waals equation of state consequences of Schrödinger for spectroscopy absorption and emission spectra Beer-Lambert law infra-red spectra and the harmonic oscillator selection rules fluorescence, phosphorescence and lasers energy and enthalpy specific heats enthalpy changes of reactions calorimetry Hess’s Law phase changes



73

4. LEARNING OUTCOMES

Category of outcome Students should/will (please delete as appropriate) be able to: Knowledge and understanding

trace the historical origin of the subject and appreciate the role played by experiment in the development of chemical understanding describe an electron in an orbital for any element in terms of the four quantum numbers, n, l, m and s give the electronic configuration for any element or ions of elements in the periodic table appreciate how chemical principles apply to reactions of organic compound know the reactions of simple functional groups understand and apply the gas laws understand the meaning of the terms: heat, work energy and enthalpy understand how energy is stored by molecules understand the thermochemistry of phase transitions

Intellectual skills produce molecular orbitals for homonuclear and heteronuclear diatomics of the first short period, using terms such as σ-orbitals, π-orbitals, bonding, antibonding and non-bonding orbitals derive the structures of small molecules such as valence-shell electron pair repulsion (VSEPR define: ionisation energy, electron affinity, electronegativity, covalent and ionic bonding understand the structure and reactivity of simple organic compounds in terms of functional groups distinguish between different types of spectroscopy predict the appearance of some basic spectra be able to calculate enthalpies for simple chemical processes such as reactions and combustion be able solve quantitative problems in basic chemistry, manipulating equations and applying formulae

Practical skills

Transferable skills and personal qualities

5. LEARNING AND TEACHING PROCESSES 6. ASSESSMENT METHOD 3 Course Tests (30%) 3 hour written examination in January (70%) 7. RECOMMENDED TEXTS C Housecroft and E Constable, Chemistry: An Introduction to Organic, Inorganic and Physical Chemistry, (3rd Ed) Prentice Hall, 2006 8. STUDY BUDGET

Lectures 48

Practicals 24

Tutorials 12

Self Study 158

Revision 58

Total Hours 300



74

1. GENERAL INFORMATION

Title Basic Physical Chemistry

Unit code CM1212

Credit rating 10

Level 1

Pre-requisite units None

Co-requisite units None

School responsible Chemistry

Member of staff responsible Dr J J W McDouall

2. AIMS The programme unit aims to: ° Provide an introduction to the physical principles underlying all chemical phenomena. ° Lay the foundations of a knowledge and understanding of physical chemistry which will permit rapid progress to advanced

topics in subsequent years of the course. ° Introduce and develop those aspects of physical chemistry related to quantum mechanical models of bonding and

spectroscopy and the thermodynamic and kinetic governance of chemical processes. ° Develop practical physical chemistry skills in the associated laboratory course.

3. CONTENT Quantum Mechanics and Molecular Structure (Dr J J W McDouall, 8 Lectures) ° Introduction to Molecular Orbital Theory ° Homonuclear Diatomic Molecules ° Heteronuclear Diatomic Molecules ° Polyatomic Molecules ° Bonding in Solids ° Interaction of Molecules with Light ° Particle in a Box Model ° Harmonic Oscillator Model ° Rigid Rotor Model Thermodynamics (Dr S L M Schroeder, 8 Lectures) ° Recapitulation of the 1st Law and of Thermochemistry ° The 2nd Law: Entropy and Spontaneous Processes ° The 2nd Law: The Gibbs Energy (Free Enthalpy) ° The Chemical Potential ° Electrochemical Potentials: The Nernst Equation ° Introductory Thermodynamics of Mixtures ° Thermodynamic Description of Chemical Equilibria, with Examples Kinetics (Dr R H Henchman, 8 Lectures) ° The Nature of Transformations in Chemistry. ° Reaction Rates. Reaction Order, Rate Laws, Activation Energy, Collision Theory. ° Reaction Mechanisms. Molecularity, Energy Profile, Reaction Coordinate, Transition State. ° Measurement And Prediction. Spectroscopic Detection, Transition State Theory. ° Catalysis. Enzymes, Inhibitors.


Category of outcome Students should be able to: Knowledge and understanding

° Discuss the electronic structure of small molecules using the principles of molecular orbital theory. ° Discuss the physical origins and quantum mechanical models of UV/Vis, infrared and microwave spectroscopies. ° Discuss thermodynamic state functions and their influence and control of chemical processes. ° Discuss the notions of rate laws, rate constants, reaction order, molecularity and the Arrhenius equation in chemical kinetics.

Intellectual skills ° Understand physical principles underlying most chemical phenomena.



75

° Handle mathematical models of the physical world. ° Understand and manipulate units.

Practical skills ° The use of laboratory equipment pertinent to physical chemistry experiments. ° The analysis of experimentally derived data and the treatment of errors.


° Analytical skills ° Problem identification

5. LEARNING AND TEACHING PROCESSES 24 lectures 12 week laboratory course (1 day per week) Recommended Texts: (i) P W Atkins and J de Paula, The Elements of Physical Chemistry, 4th Edition, 2005, Oxford University Press. (ii) C E Housecroft and E C Constable, Chemistry, 2nd Edition, 2002, Pearson

6. ASSESSMENT

Assessment task Length Weighting within unit (if relevant)

Written examination in May/June

1 hour 45 minutes

100%

Date of current version 25/5/2005



76

1. GENERAL INFORMATION Title Basic Inorganic Chemistry

Unit code CM1312

Credit rating 10

Level 1



Member of staff responsible Dr. Stephen Godfrey

2. AIMS The programme unit aims to: Build a solid knowledge base in all fundamental areas of basic inorganic chemistry across the periodic table. Aspects of nuclear chemistry, transition metal chemistry, solution chemistry, redox chemistry and main-group chemistry (the s- and p-block elements). Highlight the importance of many of these materials in industrial and/or biological systems. 3. CONTENT Nuclear Chemistry (Dr. Francis Livens 4 lectures) The chart of the nuclides, the atomic nucleus Radioactive decay Binding energies and the model of the atomic nucleus Solution Chemistry (Dr. Francis Mair 4 lectures) Metal ions in solution, Lewis acids and bases, speciation. Equilibrium Constants and enthalpy and entropy effects Hard/Soft concepts and stability effects. Transition Metal Chemistry (Dr. Sarah Heath 8 lectures) Electronic Configurations and oxidation states Ligands and donor atoms, coordination numbers. Formulae and nomenclature, isomerism d-configurations, spin states, d-orbital shape and symmetry. Crystal Field Theory, octahedral/tetrahedral/square planar geometries Jahn-Teller distortion and redox chemistry. Main-Group Chemistry (Dr. Stephen Godfrey 8 lectures) Isolation of the elements from their compounds. The reactivity of s-and p-block with common reagents Structures adopted by selected p-block elements and compounds Trends in reactivity and structures, periodicity Problem solving exercises to identify a compound from experimental data Basic main-group coordination chemistry 4. LEARNING OUTCOMES

Category of outcome Students should be able to:

Knowledge and understanding

Demonstrate a firm understanding in all aspects of basic fundamental inorganic chemistry across the entire periodic table.

Intellectual skills Understand all fundamental concepts in basic inorganic chemistry and be able to apply them to specific compounds and transition metal and main group metal complexes.

Practical skills


Basic problem solving skills including understanding how to interpret experimental data, core-concept knowledge



77

5. LEARNING AND TEACHING PROCESSES Lectures (24) 6. ASSESSMENT METHOD 100% by written examination 7. RECOMMENDED TEXTS Catherine E. Housecroft and Alan G. Sharpe, Inorganic Chemistry Second edition Prentice Hall 2005; D. F. Shriver and P. W. Atkins, Inorganic Chemistry Third Edition OUP 1999 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 4 52 20 100



78

1. GENERAL INFORMATION Title Organic Chemistry

Unit code CM1412

Credit rating 10

Level 1



Member of staff responsible Prof Jonathan Clayden

2. AIMS The programme unit aims to: Provide an introduction to organic chemistry 3. CONTENT Carbonyl Group Chemistry (Professor J P Clayden, 8 lectures) • hydration and hemiacetal formation • substitution at carbonyl groups – leaving groups and use of pKa as a guide to the breakdown of tetrahedral intermediates • substitution reactions of acid chlorides • IR spectroscopy as a guide to the reactivity of carboxylic acid derivatives – conjugation – delocalization of amides • interconversion of carboxylic acids, esters, acid chlorides and amides • synthesis of alcohols and ketones from carboxylic acid derivatives – reactions with organometallics • acid and base catalysis • substitution in which carbonyl oxygen is lost – formation and hydrolysis of acetals and imines, protecting groups, reductive amination, the Wittig reaction, conjugate addition and substitution • some simple enol and enolate chemistry Substitution and elimination at saturated carbon (Professor E. J. Thomas, 8 lectures) • SN2 reactions – nature of the transition state, relative reactivity of different substrates and reagents • hard and soft acids (electrophiles) and bases (nucleophiles) • reactivities of different leaving groups – halides and p-toluenesulfonates • SN1 reactions – structure and stability of carbocations, relative reactivity of different substrates • stereochemical aspects of SN1 and SN2 reactions • E1 and E2 reactions – kinetics, substrate structure dependence, base and leaving group • competing substitution and elimination Reactions at Unsaturated carbon in alkenes and arenes (Dr D. J. Procter, 8 lectures) • Hydrogenation of alkenes to give alkanes – relative stability of alkenes • additions to protic acids to alkenes – acid catalyzed addition of water, alcohols and carboxylic acids • borane and alkylborane additions to alkenes • addition of bromine to alkenes – effect of nucleophilic solvents • reactions of alkenes with oxidizing agents • structural features and reactivity of benzene and other aromatics • nitration, sulfonation, halogenation and Friedel–Crafts reactions of benzene • direction and activation in substituted benzenes 4. LEARNING OUTCOMES

Category of outcome Student will be able to: Knowledge and understanding

• Understand the structural features of organic molecules, identifying the functional groups they contain • Appreciate that spectroscopic methods may be used to identify structural features in organic molecules. • Appreciate that the reactivity of organic compounds depends on their functional groups and know reactions typical of each class of functional group • Understand simple underlying mechanistic principles of organic reactions and how these can be represented by “curly arrows”.

Intellectual skills • Predict reactivity and reaction outcomes for simple organic molecules by drawing analogies based on functional groups • Use curly arrows to write reasonable reaction mechanisms • Use spectroscopic data (principally infra-red) to identify functional groups and hence predict structure.



79

Practical skills


• time-management • self study • problem solving

5. LEARNING AND TEACHING PROCESSES 24 Lectures, Tutorials, Self-study. 6. ASSESSMENT METHOD 1h 45min written examination in May/June 7. RECOMMENDED TEXTS Housecroft and Constable "Chemistry", 2nd edition (2002) J Clayden, N Greeves, S Warren and P Wothers, Organic Chemistry, OUP, 2000 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 4 50 22 100



80

1. GENERAL INFORMATION Title Quantitative Chemistry

Unit code CM1511


Level 1

Pre-requisite units

Co-requisite units

Member of staff responsible Dr Peter Gorry

2. AIMS The programme unit aims to: To provide a training in the treatment of numerical scientific data To teach the basic mathematical skills required by chemistry students 3. CONTENT Prof M Anderson & Dr P A Gorry – taken by all chemistry students except Chemistry with Physics students powers of ten dimensions, units and conversion of units significant figures tables and graphs treatment of experimental errors linear regression algebra: General rules of algebra simultaneous equations, quadratic equations proportions and percentages exponents/exponentials, logarithms/antilogarithms calculus (differentiation) – interpretations of differentitation, differentiation of simple functions, rates of change, maxima and

minima calculus (integration) - interpretation of integration, integrals of simple functions, definite integrals degrees, radians, trigonometric functions 4. LEARNING OUTCOMES


understand how to manipulate units and plot graphs so as to extract scientific information understand significant figures and how to treat errors

Intellectual skills develop a facility in dealing with simple algebra, powers and logarithms, differentiation/integration and simple trigonometry

Practical skills


5. LEARNING AND TEACHING PROCESSES Independent study, problem classes and computer-aided learning 6. ASSESSMENT METHOD continuous assessment via regular tests (100%)



81

7. RECOMMENDED TEXTS S K Scott, Beginning Mathematics for Chemistry, OUP, 1995 B R Johnson and S K Scott, Beginning Calculations in Physical Chemistry, OUP, 1997 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study 80

Revision 20

Total Hours 100



82

1. GENERAL INFORMATION Title Communicating Chemistry

Unit code CM1520

Credit rating 10

Level 1



Member of staff responsible McInnes

2. AIMS The programme unit aims: To develop information, IT, groupworking and other transferable skills. To reinforce key concepts from Core Chemistry lecture courses. To develop scientific presentational skills (written, oral and poster). 3. CONTENT Information and library skills; plagiarism and proper use of the scientific literature; use of databases; groupwork skills to solve chemical problems; use of spreadsheet and chemical structure drawing software packages; scientific report writing; poster preparation and presentation; CV writing. 4. LEARNING OUTCOMES


Intellectual skills Practical skills


Be comfortable working in groups and as individuals to solve problems. Use the library efficiently to search the scientific literature. Use selected software packages for data analysis and presentation. Write and present coherent, concise and structured scientific reports.

5. LEARNING AND TEACHING PROCESSES Lectures, visit to JRULM, class sessions for groupwork and software exercises, and self-study. 6. ASSESSMENT METHOD Individual coursework. Individual written scientific reports. Group report. Group poster session. 7. . RECOMMENDED TEXTS 8. . STUDY BUDGET

Lectures

Workshops

Tutorials

Self Study

Revision

Total Hours

24 76 100



83

1. GENERAL INFORMATION Title Core Chemistry Lab

Unit code CM1600


Level 1


Co-requisite units

Member of staff responsible Dr Sarah Heath (Measurements lab) Dr Robert Dryfe (Measurements lab) Dr Iain May (Synthesis lab) Dr David Procter (Synthesis lab)

2. AIMS The programme unit aims to: Introduction and development of core practical skills Introduction to basic laboratory safety procedures including COSHH and Risk Assessment 3. LEARNING OUTCOMES


Intellectual skills Practical skills After completing this unit students should be able to undertake basic safety

assessments of their experiments and carry out practical work using core skills


4. ASSESSMENT METHOD Continuous assessment and lab report (100



84

7. GENERAL INFORMATION Title Core Physical/Theoretical Chemistry

Unit code CM2210


Level

Pre-requisite units CM1210 B OR CH-1001, CH-1002, CH-1004, CH-1005, CH-1008, CH-1010

Co-requisite units

Member of staff responsible Dr Alan Hinchliffe (Sem. 1, CM2211), Dr Robert Dryfe (Sem. 2, CM2212)

8. AIMS To progress your understanding of the core concepts of physical and theoretical chemistry, especially molecular interactions, molecular spectroscopy and molecular structure theory. To foster related skills in practical physical chemistry 9. CONTENT Semester 1: (CM2211) Intermolecular Forces (Dr Alan Hinchliffe, 8 lectures) Intermolecular vs. intramolecular interactions Experimental methods for obtaining information about intermolecular interactions Arrays of electric charges and their properties. Relationship between force and mutual potential energy The relative permittivity. long range interactions Short range repulsion Lennard-Jones and more sophisticated potentials. Hydrogen bonding Modelling the Solvent. Molecular Spectroscopy (Dr Neil Burton, 8 lectures) Rotational spectroscopy of diatomic molecules Infra-red spectra, anharmonicity, vibration-rotation spectra of diatomics, P & R branches Boltzmann distribution of vibrational and rotational populations Rotational Raman spectroscopy, selection rules Electronic spectroscopy of diatomics, potential energy curves, Franck-Condon principle, dissociation energies, Birge-Sponer

extrapolation Molecular Bonding and Reactivity (Professor I H Hillier, 8 lectures) Using molecular orbital theory to understand chemical reactivity Frontier orbitals MOs of unsaturated hydrocarbons Reactivity of diatomics and unsaturated hydrocarbons Semester 2: (CM2212) Solution Chemistry (Dr R A W Dryfe, 12 lectures) Revision of thermodynamics definition and interrelation of mole fraction, molality, molarity behaviour of ideal and non-ideal liquid mixtures chemical potential and its relation to activity coefficients/concentration electrolyte solutions and their non-ideality: the Debye Hückel Law electrode potentials, conductivity measurements and applications thereof Kinetics (Dr P L A Popelier, 12 lectures) • Revision of aspects of kinetics introduced in year 1, namely molecularity, order of reaction, rates, rate constants and their

units; the temperature dependence of rate. Differentiation between elementary and complex reactions. • the transition state theory; activation entropy and its relation to types of transition state in the gas phase • potential energy surfaces for both reactive and unreactive encounters • reaction mechanisms and their rationalisation using thermochemical and other (e.g. spectroscopic) data • chain reactions and the classification of their steps • chain branching processes • comparison between gas and solution phase reactions • experimental techniques used in the study of gas and solution phase reaction kinetics.



85


Category of outcome Students will be able to: Knowledge and understanding

Intellectual skills use the concepts of physical and theoretical chemistry in explaining the properties of matter, the spectroscopic determination of chemical structure and the electronic structure and reactivity of simple molecules

Practical skills use the relevant theoretical skills in practical physical chemistry


5. LEARNING AND TEACHING PROCESSES 48 lectures, practicals, tutorials 6. ASSESSMENT METHOD 1h 45min written examination in May/June (100%) 7. RECOMMENDED TEXTS P Atkins and J de Paula, Physical Chemistry (7th Ed), Oxford, 2002 A Hinchliffe, Molecular Modelling for Beginners, Wiley, 2003. C N Banwell and E M Cash, Fundamentals of Molecular Spectroscopy (4th Ed), McGraw Hill 8. STUDY BUDGET

Lectures 48

Practicals 80

Tutorials 20

Self Study 104

Revision 48

Total Hours 300



86

1. GENERAL INFORMATION Title Core Inorganic/Structural Chemistry

Unit code CM2310

Credit rating 30

Level 2

Pre-requisite units CM1310

Co-requisite units none

Member of staff responsible Drs S L Heath (CM2311) and F S Mair (CM 2312)

2. AIMS The programme unit aims to: 1. Deepen and widen students’ knowledge base of the chemistry of the elements. 2. Introduce the application of spectroscopic, analytical and mathematical techniques to the study of inorganic systems 3. Prepare students for advanced topics in transition metal chemistry, spectroscopy and radiochemistry 3. CONTENT Semester 1 (CM2311) Applications of Symmetry and Group Theory in Inorganic Chemistry (Drs S Faulkner and R Pritchard, 12 lectures) symmetry elements and operations, molecular point symmetry, point groups character tables, classes of symmetry operations and group order representations and characters, reducible and irreducible representations. Mulliken symbols. Symmetry and transformations properties of atomic orbitals. derivation of the MO diagram for an octahedral transition metal complex using symmetry adapted linear combinations of atomic orbitals. Relationship between the appearance of vibrational spectra and molecular symmetry. d – Transition Metal Chemistry (Dr S L Heath 12 lectures) crystal field theory in octahedral, tetrahedral and square planar complexes metal-ligand bonding, s and p bonds – stabilization of oxidation states ground state d-electron configurations in octahedral and tetrahedral complexes, high and low spin comfigurations, magnetochemistry thermodynamic aspects of Crystal Field Theory, Crystal Field Stabilization Energies the spectrochemical series electronic absorption spectra of d – transition metal complexes, Laporte and spin selection ruled; d-d (for d1 and d3 complexes) and charge transfer transitions Semester 2 (CM2312) Organometallic Chemistry (Dr I J L McInnes, 8 lectures) Coordination chemistry of metal-carbon bonds; complexes of �-acceptor ligands (CO, alkenes, phosphine) and synergistic bonding; 18 and 16 electron rules and electron counting conventions; preparations and reactivities of metal CO, alkene, alkyl and hydride complexes. Industrial relevance in catalysis with examples of catalytic cycles. Heavy Metal Chemistry, (Dr F S Mair, 8 lectures) Similarities and distinctions between light and heavy d-block Chemistry; unusually high and low co-ordination numbers; isolation, uses and characterization of heavy d and f-block elements and their compounds. Main-Group Chemistry, (Dr A K Brisdon, 8 lectures) Clusters and catenation; chemistry of boron:polyhedral boranes, including MO theory; closo, nido, arachno structural classification and reactions; Wade’s rules; rings and chains, S-N, P-N chemistry; isoelectronic/isolobal principles; Zintl ions; Noble gas chemistry



87



Demonstrate a knowledge of structure and reactivity in s, p, d and f-block chemistry

Intellectual skills Understand the principles and application of spectroscopic techniques to inorganic systems.

Practical skills Carry out preparations and spectroscopic analysis of inorganic compounds. Transferable skills and

personal qualities Report writing, problem-solving.

5. LEARNING AND TEACHING PROCESSES Lectures, tutorials, practical experiments. 6. ASSESSMENT METHOD Examination and practical assessment 7. RECOMMENDED TEXTS C.E Housecroft and A. G Sharpe, Inorganic Chemistry (1st Ed), Pearson M. Winter, d - Block Chemistry, Oxford Chemistry Primer, No. 27 M. Bochmann, Organometallics 1 and Organometallics 2, Oxford Chemistry Primers, Nos. 12 and 13. AF Hill, Organotransition metal chemistry, RSC Tutorial Text No. 7. Ch. Elschenbroich and A. Salzer, Organometallics, Wiley VCH S. Cotton, Lanthanides and Actinides, Macmillan. Cotton, Wilkinson, Murillo and Bochmann, Advanced Inorganic Chemistry, 6th Edition. C E Housecroft, Cluster molecules of the p-block elements, Oxford Chemistry Primer, No 14. W. Henderson, Main Group Chemistry, RSC Tutorial Chemistry Texts. 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

48 80 20 104 48 300



88


Title Core Organic Chemistry A

Unit code CM2410


Level 2

Pre-requisite units

Co-requisite units

Member of staff responsible Dr Ian Watt (1) Dr Procter (2)

2. AIMS This unit will build upon the introduction to the chemistry of carbon compounds developed in CM1412. As core organic chemistry, the course aims to provide a wide understanding of the occurrence, synthesis and behaviour of organic compounds, and the tools used to study them. In this semester, the focus will be on the following three topics: -

* The use of spectroscopic methods in the elucidation of structure, * Static and dynamic stereochemical relationships in organic molecules, and * The generation and exploitation of stabilised carbanions in organic synthesis.

3. CONTENT Semester 1 From spectra to structure (8 Lectures, Dr Ian Watt) For each method of the common methods, there will be brief description of the principles followed by explanation of how they are applied to structure determination of organic molecules.

Mass spectrometry UV-Vis spectroscopy IR Spectroscopy Magnetic resonance spectroscopy (1H NMR and 13C NMR)

Shape and function in organic chemistry (8 Lectures, Dr Tim Wallace)

Compounds with a single stereogenic centre. Restricted rotation and axial chirality; allenes and biaryls. Cyclohexane chair and boat conformations, axial and equatorial bonds. Diastereoisomers, meso compounds, threo and erythro nomenclature. Separation/resolution of enantiomers Assessment of enantiomeric purity. Prochirality, enantiotopicity and diastereotopicity. Stereoselective reactions.

Introducing carbon acids (8 Lectures, Dr Darren Dixon) keto-enol tautomerism deprotonation and pKa's of simple carbonyl compounds and 1,3-dicarbonyl compounds reactions of enolate anions with electrophiles enolate akylation, aldol condensations, Claisen condensations



89

Semester 2 Heterocyclic and Arene Chemistry (Dr D. J. Procter, 8 lectures) • biologically important heterocyclic compounds – natural products and drugs • fundamentals of aromaticity • revising the chemistry of arenes – directing effects • electrophilic aromatic substitution / nucleophilic aromatic substitution • pyridine and pyrrole – properties and reactivity • furan and thiophene – properties and reactivity • indole, quinoline and isoquinoline • structure and properties of imidazole – use in synthesis • introduction to saturated heterocycles Introduction to Synthesis (Professor P. D. Bailey, 8 lectures) • oxidation – dehydrogenation, oxidation of alcohols, aldehydes, alkenes • reduction – hydrogenation, metal hydrides, dissolving metal reductions • reduction using radical reactions • strategies in synthesis – selectivity, protecting groups • introduction to pericyclic reactions Introduction to the chemistry of 1°ary Metabolites (Dr David Berrisford, 8 lectures) • introduction to the roles and structures of proteins, �-amino acids, representative structures, formation of peptides, the peptide bond • enzymic and chemical cleavage of proteins and peptide sequencing – the Sanger and Edman methods • introduction to carbohydrates – structure and biological role • elementary ideas of basic metabolic processes, the role of enzymes and co-enzymes, anabolism and catabolism 4. LEARNING OUTCOMES


Explain, qualitatively, the principles of the common spectroscopic methods, and Describe, distinguish and name the various types of stereoisomer, explain the consequences of conformational mobility in cyclohexanes, explain how mixtures of enantiomers may be analysed and resolved, and explain, in mechanistic terms, how stereoselection may occur in organic reactions Relate structure to carbon acidity in organic molecules, particularly carbonyl compounds, describe the tautomeric forms of carbonyl compounds and explain how tautomerism may occur Understand the basic chemistry of heterocycles Have a broad knowledge of functional group interconversions, reaction mechanism, and synthesis To have a basic understanding of peptides, proteins and amino acids

Intellectual skills deduce the structure of simple organic molecules from combined MS, UV-vis, IR, and MS data suggest appropriate conditions for generation of a particular carbanion from its parent acid, and devise simple synthetic sequences exploiting the properties of carbanions as nucleophiles To devise synthetic routes to simple targets To develop reaction mechanisms

Practical skills


• time-management • self study • problem solving

5. LEARNING AND TEACHING PROCESSES 48 Lectures, Tutorials, Self-study 6. ASSESSMENT METHOD 1h 45min written examination in May/June (100%) 7. RECOMMENDED TEXTS Organic Chemistry (Oxford University Press, 2001), J Clayden, N Greeves, S Warren and P Wothers, ISBN 0198503466. Organic Chemistry, 5th edition (McGraw-Hill, 2002), F A Carey, ISBN 0071151486 Introduction to spectroscopy : a guide for students of organic chemistry (Harcourt College Publishers, 2001, 3rd ed), Donald L. Pavia, Gary M. Lampman, George S. Kriz



90

Stereochemistry in Organic Compounds (Wiley, 1994), E L Eliel and S H Wilen, ISBN 0471016705 (a comprehensive reference text) Organic Structures from Spectra (Wiley, 1995), L.D. Field, S. Sternhell, and J.R.Kalman,

A set of ‘Orbit’ molecular models is recommended for use in the stereochemistry course. A course booklet containing structured notes – with gaps – on the main topics (intended to complement the students’ own notes) is provided for the stereochemistry section. For the other lectures, copies of overheads used will be supplied and be available via the departmental web site 8. STUDY BUDGET

Lectures 48

Practicals

Tutorials 8

Self Study 100

Revision 44

Total Hours 200



91

1. GENERAL INFORMATION Title Communicating Chemistry

Unit code CM2500

Credit rating 10

Level 2

Pre-requisite units CM1511 (VUM) + Communicating Chemistry (UMIST)

Co-requisite units

Member of staff responsible McInnes

2. AIMS The programme unit aims: To develop literature (scientific database use), IT, groupworking, problem solving and other transferable skills. To develop scientific presentational skills (written, oral and poster). 3. CONTENT Scientific literature database use (SciFinder and CrossFire) – topic and chemical structure searching, etc; written literature review and oral presentation; groupwork exercise to develop synthetic strategies for given compounds - poster presentation. 4. LEARNING OUTCOMES




Be comfortable working in groups and as individuals to solve chemical problems. Use databases effectively to search the scientific literature. Write and present review of primary chemical literature on a given topic.

5. LEARNING AND TEACHING PROCESSES Lectures, practical sessions for database and groupwork exercises. Mostly self-study. 6. ASSESSMENT METHOD Individual coursework. Individual written literature reviews. Oral presentation. Group report + poster session. 7.. RECOMMENDED TEXTS 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

10 90 100



92

1. GENERAL INFORMATION Title Core Chemistry Lab

Unit code CM2600


Level 2

Pre-requisite units

Co-requisite units

Member of staff responsible Dr Neil Burton (Measurements lab) Dr Kevin Flower (Measurements lab) Dr C Ian F Watt (Synthesis lab) Dr Alan Brisdon (Synthesis lab)

2. AIMS To introduce more demanding practical procedures To encourage greater independence in carrying out practical procedures To develop analysis of experimental results 3. LEARNING OUTCOMES


Intellectual skills Practical skills After completing this unit students should be fully competent in safety audits and core

practical skills. They should be able to analyse their data and come up with sensible conclusions


4. LEARNING AND TEACHING PROCESSES 24 × 9 hour laboratory sessions 5. ASSESSMENT METHOD Continuous assessment and lab report (100% 6. STUDY BUDGET

Lectures

Practicals 216

Tutorials

Self Study

Writing Up 84

Total Hours 300



93

1. GENERAL INFORMATION Title Polymer and Supramolecular Chemistry

Unit code CM2711

Credit rating 10

Level 2 First Semester




Member of staff responsible Prof. S.G.Yeates

2. AIMS The programme unit aims to: To provide the students with a basic understanding of modern polymer and supramolecular chemistry. 3. CONTENT Introduction: • Macromolecular chemistry is nanoscience. What are polymers, why are they useful. What is supramolecular chemistry,

why is it important? • Physical states of polymers - glasses, rubbers, and polycrystalline. • Structures of polymers - linear, branched, networks, comb, graft, star etc. Copolymers • Polymers as mixtures of molecules - introduction to the concepts of degree of polymerization, averages (number and

weight) and dispersity. Polymer synthesis and characterisation • Comparison of step growth and chain growth polymerisation. • Synthesis of common polymers using step growth polymerisation - examples of polyamides, polyesters and polyketones. • Synthesis of common polymers using chain growth polymerisation - radical, anionic, cationic and ring opening

polymerisation. • Characterisation of polymers – molecular weights, end group and thermal analysis. • Applications of polymers. Supramolecular Chemistry • Proteins and DNA are polymers, but have very complex structures and functions due to supramolecular interactions. Life

depends on supramolecular interactions. • Strength and types of supramolecular interactions (H-bonding, hydrophobic effects, ion-ion interactions, π-stacking, van

der Waals forces, close packing) • Host-guest compounds (macrocyclic ligands, anion binders, cyclodextrins and calixarenes, porphyrins) • Measuring supramolecular interactions, binding constants, macrocyclic effect, pre-organisation and complementarity • Applications of supramolecular chemistry - crown ethers, sensors, enzyme mimics, supramolecular polymers 4. LEARNING OUTCOMES


• Distinguish the physical differences between polymers, supramolecular complexes and small molecules.

• Understand the structures of polymers and the effect of molecular mixing on their properties.

• Distinguish between the advantages and disadvantages of preparation routes to a variety of different polymers.

• Describe the applications of polymers and understand which polymers are suitable for which applications and why.

• Identify and quantify a range of supramolecular interactions. • Understand why supramolecular chemistry is important and where it can be

applied.

Intellectual skills

Practical skills Transferable skills and

personal qualities



94

5. LEARNING AND TEACHING PROCESSES Lectures Recommended text: J M G Cowie, Polymers: Chemistry and Physics of Modern Materials, Blackie. R.J. Young and P.A. Lovell, Introduction to Polymers, 1991, Chapman and Hall. M.P. Stevens, Polymer Chemistry – An Introduction, 3rd Edn., 1999, OUP. Steed & Atwood, Supramolecular Chemistry - a concise introduction, 2000, Wiley. Beer, Gale and Smith, Supramolecular Chemistry,1999, OUP. 6. ASSESSMENT


Written examination 1 hour 45 mins 100%



95

1. GENERAL INFORMATION Title Computational Chemistry

Unit code CM2712

Credit rating 10

Level 2

Pre-requisite units CM1210, CM1310, CM1410

Co-requisite units CM2211, CM2311, CM2411

Member of staff responsible Dr N A Burton

2. AIMS The programme unit aims to: • draw students’ attention to the increasing importance of computational methods in chemistry, the discovery of new drugs,

agrochemicals and novel materials; • describe computational methods which allow the prediction of molecular structure, properties and reactivity; • illustrate the importance of computational methods to study wide range of chemical applications including their use in

protein structure analysis and visualization. 3. CONTENT Molecular shapes and interactions (Dr A C Regan) molecular models and molecular mechanics; force fields, including delocalised π-electrons; energy minimisation and conformational searching methods; applications to chains, rings, conformational preferences and stereoselectivity. Molecular Simulation and Quantum Chemistry (Dr N A Burton) molecular simulation - molecular dynamics method to simulate atomic motion; the role of temperature and use of Newton’s Laws for the prediction of macroscopic properties; quantum chemistry – prediction of molecular electronic structure; the role of electron density and prediction of properties from potential energy surfaces. Proteins and their ligands: Drug discovery in the genomic era (Prof J R Helliwell) overview of protein 3D structure, Protein Data Bank and Gene databanks; computational analysis of deviations from ideality and their structural significance; prediction of protein structure and refinement against crystallographic data; new opportunities for harnessing genome scale data in chemistry. 4. LEARNING OUTCOMES


understand how chemical structure, reactivity and chemical processes can be modelled using computational methods,

understand how protein structures and sequences can be accessed and analysed using computers.

Intellectual skills Concepts in molecular and electronic structure and introduction to computational

modelling and analysis methods.

Practical skills Use of molecular modelling and electronic structure packages; Retrieval and visualization of protein and sequence data from online databanks.


Computer interaction, algorithms and appreciation of non-synthetic applications of chemistry.

5. LEARNING AND TEACHING PROCESSES 18 lectures, 6 examples classes. Each of the 3 sections of the course will be 6 lectures and 2 examples classes. The examples classes are scripted exercises to illustrate the lecture material.



96

6. ASSESSMENT METHOD 1 hour 45 minute written examination in May/June (100%) 7. RECOMMENDED TEXTS Chemical Applications of Molecular Modelling, by J.M.Goodman, (RSC, 1998) 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

18 6 - 52 24 100



97


Title Patent Law Seminar Programme

Unit code CM2802

Credit rating 10

Level 2

Pre-requisite units LW1051, LW1302, LW2301


Member of staff responsible David Collison

2. AIMS

The programme unit aims to: • To introduce students to the concepts of Intellectual Property • To highlight the differences between Patents, Copyright, Trademarks • To introduce the basic concepts and techniques in obtaining Patent protection

3. CONTENT Introduction to Patent Law (Mr P.B. Atkinson, Dr P.L. Kolker, 7 seminars + 1 computer-based practical session)

• understand how to apply the basic concepts underpinning Intellectual Property • understand the meaning of novelty, inventive step, and a full description of an invention (will include “interviewing” an

inventor) • understand the structure of a patent and how the parts listed above are incorporated • be aware of selected case studies within patent law • understand the procedure for obtaining a British patent and how this can be extended overseas • understand how to use the patent literature



• Define inventorship, authorship and rights (of an employee and an employer) • Understand the purpose and interpretation of patent claims • Understand the mechanisms for obtaining patent protection in different

regions of the world Intellectual skills Appreciate the relationship between science, engineering and technology and the legal

framework for the protection of inventions within the framework of industrial research and development

Practical skills Be able tosearch the Patent Literature using on-line methods


show team working skills, be able to research the scientific and legal literature, increase essay writing skills, and develop construction and presentation of verbal arguments

5. LEARNING AND TEACHING PROCESSES The unit is split into themes and presented as seminar afternoons by practising members of the Patent Profession and focuses on worked examples wherein basic principles are extended to the study of real cases through a didactic, problem-based approach. 6. ASSESSMENT METHOD A word processed essay of ca. 3000 words on a topic to be researched from library sources for which the seminar programme has formed a foundation of principles and facts (100%)



98

7. RECOMMENDED TEXTS For reference only: CIPA Guide to the Patents Act, 4th or 5th Edition. Baxter’s World Patent Law and Practice, ed. Sinnott 8. STUDY BUDGET

Seminars

Practicals

Tutorials

Self Study

Essay

Total Hours

21 3 - 52 24 100



99

1. GENERAL INFORMATION Title Core Physical Chemistry B

Unit code CM3211

Credit rating 10

Level 3


Co-requisite units n/a

Member of staff responsible Dr Vasudevan Ramesh

2. AIMS The programme unit aims to: To present core physical chemistry courses on nuclear magnetic resonance, photochemistry and statistical mechanics 3. CONTENT Modern NMR Spectroscopy (Prof G A Morris, 8 lectures) nuclear spin and magnetism - chemical shifts and scalar couplings bulk nuclear magnetism and the Bloch equations pictorial description of pulse Fourier transform NMR nuclear spin relaxation and the nuclear Overhauser effect multiple pulse NMR experiments, 2-dimensional NMR determination of molecular structures in solution Photochemistry (Dr A Horn, 8 lectures) the basic laws of photochemistry descriptions of excited states: term symbols the photochemical and photophysical fates of excited states photochemical kinetics principles of laser operation applied photochemistry Statistical Mechanics (Dr V. Ramesh, 8 lectures) isolated systems, statistical interpretation of entropy, residual entropy. entropically driven phase transitions. canonical ensemble, Boltzmann distribution of states, the partition function and its relation to thermodynamics, ideal gas

partition functions. equilibrium constant in terms of partition functions application of statistical mechanics to structural transitions in well-defined biopolymers 4. LEARNING OUTCOMES


After completing the course unit, participants should be able to understand: the principles and applications of modern NMR methods in chemistry the fundamental principles associated with the interaction of light with matter the basic principles and design of lasers specific techniques in laser analytical chemistry, state-selective chemistry and

femtochemistry the use of statistical mechanics to predict gaseous properties the statistical approaches for predicting the conformations of biopolymers

Intellectual skills Knowledge of 'core' physical chemistry' is presented primarily in lectures. This material is reinforced in tutorials, in which students are expected to participate and demonstrate their understanding of the topics.

Practical skills n/a


Problem solving and numeracy skills are developed through tutorials and exam questions. Study skills are developed through library work and assessed by self-evaluation.



100

5. LEARNING AND TEACHING PROCESSES 3 sets of 8 lectures on each of the above topics, supplemented by small group tutorials. Each student has a personal tutor to provide general academic and personal guidance during the course programme. 6. ASSESSMENT METHOD 1 hour 45 minute written examination in January ( 100% ) 7. RECOMMENDED TEXTS P Atkins and J de Paula, Physical Chemistry (7th Ed), OUP, 2002 (other references will be given during the lecture course) 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - 7 45 24 100



101

1. GENERAL INFORMATION Title Core Physical C

Unit code CM3212

Credit rating 10

Level 3

Pre-requisite units -

Co-requisite units -

Member of staff responsible Dr R. Goodacre

2. AIMS The programme unit aims to: Develop an understanding of the fundamental processes involved in the dynamics of chemical reactions and energy transfer processes. Provide theoretical training in the processes involved in microbial characterisation, and emphasise the developments within analytical science that allow the objective identification of the causal agents of disease. 3. CONTENT CM3222: Reaction Dynamics Experimental Methods for Studying Reaction Dynamics (Dr P.A. Gorry, 8 lectures) Modern techniques - IR/Visible chemiluminescence, Laser Induced Fluoresence, pump-probe experiments, crossed molecular beam scattering, ion-imaging. Bimolecular collision dynamics, differential cross sections, LAB-CM transformations and the role of angular momentum. Energy partitioning into vibrational rotation and translation, electron jump and RRK models. CM3222: Reaction Dynamics Electronic Structure Calculations & Potential Energy Surfaces in Reaction Dynamics (Dr J.J.W. McDouall, 8 lectures) Potential Energy Surfaces: Born-Oppenheimer approximation; definition of potential energy surfaces; breakdown of Born-Oppenheimer approximation; coordinate systems for polyatomic reactions. Properties of Potential Energy Surfaces: Derivatives of potential energy surfaces and molecular properties; stationary points, minima, maxima, saddle points; reaction coordinate; reactions on potential energy surfaces; early and late transition states; reactant/product energy partitioning; use in chemical lasers. Thermodynamic Properties Derived from Potential Energy Surfaces: Boltzmann distribution and partition functions; evaluating partition functions, electronic, vibrational, rotational and translational; thermal corrections and internal energy, enthalpy and entropy. Chemical Reaction Dynamics on Potential Energy Surfaces: Transition state theory, assumptions, derivation, symmetry and statistical factors, criticisms, tunnelling; detailed application to the F + H2 reaction. CH3021: Chemical Characterisation of Microorganisms (Dr R. Goodacre, 8 lectures) Introductory lectures on microbiology with particular reference to the bacterial cell structure, the classification of bacteria, and the need for rapid bacterial identification. Whole organism fingerprinting: The theory, advantages and practical implementation of mass spectrometry-based methods (including Curie-point pyrolysis, matrix assisted laser desorption ionisation (MALDI), and electrospray ionisation (ESI)) and vibrational spectroscopies (viz. infrared and Raman) will be described in detail. A brief introduction to the chemometric and machine learning tools that are used to turn spectra into microbial identity will also be given. Application of the above within clinical, industrial and environmental scenarios. 4. LEARNING OUTCOMES


understand the different the processes involved in reactive and non-reactive collisions, understand modern experimental methods used to study molecular reaction dynamics, understand the role of potential energy surfaces in reaction dynamics, understand the concepts behind the identification of bacteria, yeast and fungi.

Intellectual skills Understand physical principles underlying many chemical phenomena, be able to use mathematical models of physical processes, understand the role of analytical science in the routine identification of microorganisms.



102

Practical skills None


None

5. LEARNING AND TEACHING PROCESSES Standard 3 blocks of 8 x 1 h lectures with supplementary information including additional notes and papers will be available. 6. ASSESSMENT METHOD 2 hour unseen written examination in May/June (100%) 7. RECOMMENDED TEXTS Atkins, P. & de Paula, J. (2002) Physical Chemistry (7th Ed), Oxford University Press. Steinfeld, J.I., Francisco, J.S. & Hase, W.L. Chemical Kinetics and Dynamics, Chap 7 & 10. Frost, A.A. & Pearson, R.G. Kinetics and Mechanism, Chap 5. Goodfellow, M. and O'Donnell, A.G. (1994) Chemical Methods in Prokaryotic Systematics. John Wiley & Sons, Chichester. Plus a list of other references will be issued during the lecture course 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - - 52 24 100



103

1. GENERAL INFORMATION Title Molecular Structure and Design

Unit code CM3221

Credit rating 10

Level 3




Member of staff responsible Patrick O’Malley

2. AIMS The programme unit aims to: Understand how chemical structures and processes can be modelled using computational methods. 3. CONTENT This unit covers how molecular modelling is used to understand molecular structure and reactivity. The fundamentals of the major computational techniques using classical and quantum chemistry methods are explored and applications of such methods in the study of molecular structure, properties and reactivity are developed. Modelling Methods for Computer-aided Molecular Design (Dr A Hinchliffe, 8 lectures) • introduction to classical methods for molecular simulation, intermolecular potentials and molecular mechanics • ensemble properties of chemical systems: Monte Carlo sampling and molecular dynamics simulation • modelling potential energy surfaces, properties from the surface topology Applications of Molecular Modelling (Dr P J O’Malley, 8 lectures) • introduction of modelling methods for the study of chemical properties • background and application of Hartree-Fock and density functional methods in modelling biological applications of the

above Enzyme Structure and Reactivity (Dr N A Burton, 8 lectures) • chymotrypsin and the serine proteases, • kinetic models for enzyme catalysis, intramolecular catalysis, effective concentration and entropy, substrate binding and

specificity and transition state complementarity, • effect of environment on reactivity, • modelling enzyme reactivity using molecular simulation 10. LEARNING OUTCOMES

Category of outcome Students should(please delete as appropriate) be able to: Knowledge and understanding

Understand the fundamental ideas underlying classical and quantum molecular modelling methods.

Intellectual skills Develop deeper understanding of classical and quantum mechanics and their central role in chemical understanding.

Practical skills Apply knowledge gained above to a range of important areas of chemistry including organic reactivity and biochemical processes.


Become familiar with the operation of sophisticated molecular modelling computer packages.



104

11. LEARNING AND TEACHING PROCESSES 24 Lectures

Recommended Texts: Alan Hinchliffe, Chemical Modelling; From Atoms to Liquids, John Wiley & Sons Ltd, 1999 A R Leach, Molecular Modelling; Principles and Applications 2nd Edition, Longman, 2001 T Bugg, An Introduction to Enzyme and Coenzyme Chemistry, Blackwell Science, 1997

12. ASSESSMENT


Examination

1 hour 45 minutes

100



105

1. GENERAL INFORMATION Title Core Inorganic B

Unit code CM3311

Credit rating 10

Level 3

Pre-requisite units CM2310 (VUM) + equivalent UMIST course

Co-requisite units

Member of staff responsible Dr Eric McInnes

2. AIMS The programme unit aims to: To show how ligand design and synthesis is vital in modern coordination chemistry. To show the use of spectroscopy in determining electronic and geometric structure of coordination complexes. To introduce students to advanced concepts of structure, bonding and reaction mechanism in organometallic chemistry 3. CONTENT Spectroscopy in Inorganic Chemistry (McInnes) : electronic absorption spectroscopy (dd and charge transfer transitions); Electron Paramagnetic Resonance (EPR) spectroscopy in fluid and solid state; multi-nuclear NMR spectroscopy. Ligand Design in Coordination Chemistry (Winpenny): hard/soft ligands, denticity, steric requirements of ligands, chelate effect; macrocycles – ligands for highy stable complexes, synthetic routes; controlling coordination numbers and geometry, bridging ligands. Organometallic chemistry (Whitelely): ligands with M-C multiple bonds (carbenes, carbines, vinylidenes); π-coordinated ligands (alkynes, dienes, cyclobutadiene); metallocenes, magnetic and structural properties, M dependent reactivity, homogeneous catalysis of alkene polymerisation based on [ZrX2(C5H5)2] 4. LEARNING OUTCOMES


Assign, analyse and interpret UV/Vis, EPR and multi-nuclear NMR spectra of coordination complexes. Show how choice of ligand can direct chemistry; define the chelate and macrocyclic effects; give examples of stericaly demanding ligands and define ligand cone angles. Understand the principles of organometallic chemistry which lead to applications in organic synthesis and catalysis

Intellectual skills

Practical skills


5. LEARNING AND TEACHING PROCESSES Lectures and tutorials 6. ASSESSMENT METHOD Written examination 7. RECOMMENDED TEXTS “Inorganic Spectroscopic Methods”, SK Brisdan, Oxford Chemistry Primers, No. 62. 8. STUDY BUDGET

Lectures 24

Practicals

Tutorials 3

73

Revision

Total Hours 100



106

1. GENERAL INFORMATION Title Core Inorganic Chemistry C

Unit code CM3312

Credit rating 10

Level 3

Pre-requisite units

Co-requisite units

Member of staff responsible R.G. Pritchard J.R. Helliwell, M. Attfield, P. Skabara

2. AIMS The programme unit aims to: describe the theory and techniques that have made the diffraction of X-rays and neutrons by crystals one of the most powerful tools available to chemists. introduce some of the vast array of structures of inorganic solids and illustrate how the properties of the solid are related to the structure explain inorganic semiconductors and their applications in advanced electronic devices. 3. CONTENTS

Symmetry of 3 dimensions, particularly molecules in crystals Diffraction of X-rays and neutrons by crystals Crystallisation and crystal handling Measurement of reflections using a CCD single-crystal diffractometer and their transformation into a crystal structure Supplementary resources including powder diffraction and crystallographic databases Structures of common inorganic crystalline solids Low dimensional solids Zeolites and microporous materials Bonding in solids and electronic properties Defect structures and non-stoichiometry in solids Capacitance, dielectrics, ferroelectrics, pyro- and piezoelectrics, perovskites Introduction to compound inorganic semiconductors Synthesis, characterisation and properties of nanoparticulate semiconductors Synthesis/fabrication and properties of fullerenes and carbon nanotubes


5. LEARNING AND TEACHING PROCESSES Lectures and tutorials


Understand crystallographic terminology and selected diffraction theory Realise the wide range of chemical information available from diffraction based techniques Possess a knowledge of the variety of structures of inorganic crystalline solids Understand structure-property relationships of inorganic solids Be able to identify and discuss existing and emerging technologies associated with specific inorganic materials

Intellectual skills Concept assimilation Practical skills n/a

Transferable skills and

personal qualities Problem-solving skills Numeric and computational skills



107

6. ASSESSMENT METHOD Unseen examination 100% 7. RECOMMENDED TEXTS P. Atkins and J. dePaula, Atkins' Physical Chemistry, 7th Edition, 2002 J. Pickworth Glusker, K.N. Trueblood, Crystal Structure Analysis, 2nd Edition, 1985 W. Clegg, Crystal Structure Determination, 1998 A R West, Basic Solid State Chemistry, 1999 L. Smart and E. Moore, Solid State Chemistry An Introduction, 1995 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - 7 45 24 100



108

1. GENERAL INFORMATION Title Bioinorganic Chemistry

Unit code CM3332


Level 3

Pre-requisite units

Co-requisite units

Member of staff responsible Dr Stephen Faulkner

2. AIMS The programme unit aims to: Increase awareness of the contributions of metal ions in biology and medicine. Illustrate the use of elements not normally found in nature in therapy and imaging Explain the chemical basis for the biological or medicinal properties of a wide range of inorganic compounds. 3. CONTENT Bioinorganic Chemistry (Dr Stephen Godfrey, 7 lectures and a problem class) Overview of the inorganic chemistry of the elements, Natural selection of the elements, Biological roles of the elements. Inorganic Medicinal Chemistry (Dr Stephen Faulkner, 7 Lectures and a problem class) Therapy with non-endogenous elements and their complexes, Targeting diseased cells using targeting vectors, Imaging of soft tissue using MRI and radioisotope tomography. Metalloenzyme Chemistry (Dr David Collison, 7 Lectures and a problem class) The chemistry of the Nitrogen Cycle, The coordination environment and reactivity of iron, molybdenum and copper ions in biology, Enzymes of the Nitrogen Cycle, Redox Partners and enzyme complexes. 4. LEARNING OUTCOMES


Demonstrate an understanding of how metal ions are selected for use by biology, or in medicine, and explain how they are used.

Intellectual skills Analyse and interpret spectroscopic and structural data relating to inorganic compounds of interest.


Solve problems, structure arguments

5. LEARNING AND TEACHING PROCESSES Lectures (21), Problem Classes (3), Pre-Examination Workshop (1) 6. ASSESSMENT METHOD Examination (1h 45 min)- candidates will be required to answer two questions from three. These questions may contain components from more than one lecture course. 7. RECOMMENDED TEXTS DE Fenton, Biocoordinaion Chemistry, OCP No 25; JJR Fraŭsto da Silva and RJP Williams, The Biological Chemistry of the Elements, OUP, 2001. Further Reading: Issue 9 of Chemical Reviews in 1999 (volume 99) deals with inorganic medicinal chemistry 8. . STUDY BUDGET

Lectures 21

Practicals

Tutorials 4

Self Study 55

Revision 20

Total Hours 100



109

1. GENERAL INFORMATION Title Core Organic Chemistry B

Unit code CM3411

Credit rating 10

Level 3



Member of staff responsible Dr A C Regan

2. AIMS The programme unit aims to: enhance the students’ knowledge base of fundamental organic chemistry. 3. CONTENT Designing Organic Syntheses: Chemistry of Bifunctional Compounds (Dr A C Regan, 8 lectures) enolate formation, alkylation and aldol reactions synthesis of dicarboxylic acids and their esters – properties of dicarboxylic acids synthesis of β-dicarbonyl compounds (Claisen and Dieckmann condensations) – enolisation, alkylation, deca\rboxylation and

use of malonate and acetoacetate in organic synthesis, comparison with chemistry of simple enolates preparation, properties and use of α,β-unsaturated carbonyl compounds in synthesis (Michael and Robinson reactions). disconnections of target molecules containing two functional groups – 1,3-difunctional, α,β-unsaturated carbonyl and 1,5-

difunctional compounds

Physical Organic Chemistry (Dr C I F Watt, 8 lectures) the meaning of “reaction mechanism” and the physical concepts necessary for the design of experiments to test or establish

mechanism application of a variety of physical methods to the mechanistic problems systematic approaches to the effects of structural variation and change of reaction conditions on organic reactivity

Organic Chemistry of Primary Metabolic Processes (Prof J D Sutherland, 8 lectures)

metabolism – primary metabolites, anabolic & catabolic processes, bioenergetics ATP and phosphate esters activation of carbonyl groups – acyl thioesters and coenzyme A, reactivity of thioesters versus oxygen esters, energetics of ATP

and esters oxidation and reduction – nicotinamide and flavin coenzymes, hydrogen transfer glucose catabolism – glycolysis, the citric acid cycle.

4. . LEARNING OUTCOMES


• have an understanding of the chemistry of bifunctional organic compounds, have a detailed appreciation of the mechanisms of organic reactions and how they are determined.

• have a detailed appreciation of the mechanisms of organic reactions and how they are determined.

• have an understanding of the chemistry of primary metabolic processes.

Intellectual skills • design syntheses of target molecules. • solve problems in mechanistic organic chemistry. • transfer mechanistic knowledge of chemistry between laboratory and

metabolic processes.

Practical skills


solve problems requiring logical deduction, and transfer of knowledge and thought processes from one area of another.



110

5. LEARNING AND TEACHING PROCESSES Lectures (24), including worked examples Problem sheets Tutorials 6. ASSESSMENT METHOD 1 hour 45 minute written examination in January (100%) 7. . RECOMMENDED TEXTS J Clayden, N Greeves, S Warren, P Wothers, Organic Chemistry, OUP 2000. S Warren, Organic Synthesis: the Disconnection Approach, Wiley, 1982. H Maskill, The Physical Basis of Organic Chemistry M Page and A Williams, Organic and Bio-organic Mechanisms J Staunton, Primary Metabolism: A Mechanistic Approach, Oxford, 1977. 8. STUDY BUDGET

Lectures 24

Practicals

Tutorials 3

Self Study 50

Revision 23

Total Hours 100



111


Title CORE ORGANIC C

Unit code CM3412

Credit rating 10

Level 3

Pre-requisite units CORE ORGANIC B

Co-requisite units -

Member of staff responsible E J THOMAS

2. AIMS The programme unit aims to: To develop further understanding of synthetic and mechanistic organic chemistry 3. CONTENT Carbon-centred Radicals, Carbenes, Nitrenes & Arynes (Dr D Procter, 8 lectures) Carbon-centred radicals – controlled synthesis of complex molecules Carbenes & nitrenes – structure, the means for their utility in synthetic transformations Generation and reactivity of arynes Heterocyclic Synthesis (Dr J Gardiner, 8 lectures) Synthesis of the main classes of heterocycles – pyrroles, indoles, pyridines, quinolines and isoquinolines, furans and thiophenes Examples of the total synthesis of natural products containing heterocycles Orbital symmetry (Prof E J Thomas, 8 lectures) Pericyclic processes Introduction to cycloaddition reactions – Diels Alder reactions Electrocyclic reactions – stereochemistry of ring-opening and ring closing Sigmatropic rearrangements – Cope and Claisen rearrangements 4. LEARNING OUTCOMES


Understand stereochemical aspects of pericyclic reactions. Devise syntheses of basic heterocyclic systems Understand mechanistic behaviour of reactive intermediates and apply this understanding to syntheses

Intellectual skills

Practical skills




112

1. GENERAL INFORMATION Title Bioorganic and Medicinal Chemistry

Unit code CM3432

Credit rating

Level 3rd Year

Pre-requisite units

Co-requisite units

Member of staff responsible Professor NJ Turner

2. AIMS The programme unit aims to: * provide an understanding of the organic chemistry that underlies biochemical processes, including enzyme mechanisms, molecular recognition, nucleic acids and biosynthesis. * show, through a series of case histories, how such knowledge can be applied to the discovery and development of novel therapeutic agents. 3. CONTENT Enzyme Mechanisms and Biosynthesis (Dr SJ Webb, 8 lectures) Nucleic Acid Chemistry (Prof NJ Turner/Prof SL Flitsch, 8 lectures) Medicinal Chemistry (Dr A Miller, Astra Zeneca, 8 lectures) 4. LEARNING OUTCOMES


Understand the organic chemistry of basic biochemical processes

Intellectual skills Apply this knowledge to the process of drug discovery and development

Practical skills


Participate in workshops involving small groups

5. LEARNING AND TEACHING PROCESSES Via lectures and workshops 6. ASSESSMENT METHOD Written examination in May/June



113

7. RECOMMENDED TEXTS TDH Bugg, Introduction to Enzyme and Coenzyme Chemistry, Blackwell, 2nd Ed, 2004. J Mann, Chemical Aspects of Biosynthesis, OUP, 1994. GL Patrick, An Introduction to Medicinal Chemistry, OUP, 2005. 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24



114

1. GENERAL INFORMATION Title Polymer Chemistry

Unit code CM3522

Credit rating 10

Level 3 First Semester




Member of staff responsible Prof. M.L. Turner

2. AIMS The programme unit aims to: To provide the students with a detailed understanding of modern polymer chemistry. 3. CONTENT Introduction Revision of introductory polymer chemistry Introduction to control in polymer form, molecular weight and architecture Examples of the applications of block copolymers and dendrimers Polymer Synthesis Ionic Polymerisation: Cationic, anionic (living polymerisation), ring opening Coordination polymerization: Ziegler-Natta, ROMP, ADMET Controlled radical polymerisation: Catalytic chain transfer, RAFT, nitroxide and ATRP Polymer Behaviour Size of polymer chains Polymers in solution – how to measure polymer chain dimensions Viscoelasticity and crystallinity Control of Polymer Architectures Block copolymers Dendrimers and hyperbranched polymers Synthesis Methodology and an Introduction to Polymer Colloids Bulk, solution, suspension, emulsion polymerisations Colloids, beads and latex Polymer Reagents Polymers in synthesis - supports (solid and soluble) Polymers in synthesis - scavengers 4. LEARNING OUTCOMES


• Understand how synthesis and processing can be used to control the structures and form of polymers.

• Calculate the size of polymer chains from the solution properties and understand the viscoelastic behaviour of polymers

• Describe the applications of polymers and understand which polymers are suitable for which applications and why.

• To explain the utility of polymers in synthesis as supports for molecular construction and as reagents

Intellectual skills

Practical skills




115

5. LEARNING AND TEACHING PROCESSES Lectures 6. RECOMMENDED TEXTS J M G Cowie, Polymers: Chemistry and Physics of Modern Materials, Blackie. R.J. Young and P.A. Lovell, Introduction to Polymers, 1991, Chapman and Hall. M.P. Stevens, Polymer Chemistry – An Introduction, 3rd Edn., 1999, OUP. Further references will be given to more advanced material. 13. ASSESSMENT


Written examination 1 hour 45 mins 100%



116

1. GENERAL INFORMATION Title Environmental Chemistry

Unit code CM3531

Credit rating 10

Level 3/4

Pre-requisite units

Co-requisite units

Member of staff responsible F R Livens

2. AIMS The programme unit aims to: provide students with an understanding of topical environmental issues, primarily from a chemical perspective but incorporating the chemical aspects in a broader biogeochemical context. 3. CONTENT Topics from: global climate change, carbon cycling, microbial redox transformations, radionuclide geochemistry 4. LEARNING OUTCOMES


Understand physical and chemical processes relevant to a range of key environmental issues

Intellectual skills Assimilate and review critically advanced research literature in the area

Practical skills


Critical evaluation, synthesis

5. LEARNING AND TEACHING PROCESSES Lectures; examples classes 6. ASSESSMENT METHOD Written examination (100%) 7. RECOMMENDED TEXTS Microbiology and Radioactivity, Elsevier 2002 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - - ? ?



117

1. GENERAL INFORMATION Title Practical Chemistry for BSc

Unit code CM3611


Level 3

Pre-requisite units CM1600, CM2600

Co-requisite units

Member of staff responsible Dr Andrew Horn Dr Peter Gorry (Measurements lab) Dr David Collison (Measurements lab) Dr Francis Mair (Synthesis lab) Dr John Gardiner (Synthesis lab)

2. AIMS To introduce more extended and demanding practical procedures To encourage greater independence in carrying out practical procedures To develop more extended analysis of experimental results 3. . LEARNING OUTCOMES


Intellectual skills Practical skills After completing this unit students should be familiar with a wide range of

techniques and procedures used in modern chemical investigations and should have a firm foundation for pursuing an individual research project in semester 2 with a good level of autonomy


4. . LEARNING AND TEACHING PROCESSES 12 × 9 hour laboratory sessions 5. . ASSESSMENT METHOD Continuous assessment and laboratory reports (100%) 6. . STUDY BUDGET

Lectures

Practicals 108

Tutorials

Self Study

Writing Up 92

Total Hours 200



118

1. GENERAL INFORMATION Title Project for BSc

Unit code CM3612


Level 3


Co-requisite units

Member of staff responsible Dr Andrew Horn

2. AIMS This one semester project exposes students to: an extended investigation (which may be literature based) on some aspect of modern chemical research writing a detailed scientific report giving a brief scientific presentation 3. LEARNING OUTCOMES




Students successfully completing this unit will have developed the ability to: search database facilities to find up to date information on chemical topics carry out an extended chemical investigation with minimal direction produce an extended scientific report on a chemical study give a brief scientific presentation of the key findings of a study

4. LEARNING AND TEACHING PROCESSES Research individually supervised by a member of staff 5. ASSESSMENT METHOD In assessing the marks for lab based projects, the following factors will be taken in to account:

Practical work – motivation and effort; practical skill and competence; initiative and independence; achievement. Report – quality and range of scientific content; demonstration of understanding; quality of presentation. For literature based projects, the following factors will be taken into account:: Library, database and web-based work – motivation and effort; initiative and independence; achievement. Report – quality and range of scientific content; extent of critical analysis; quality of presentation. Guidance will be given on the format of the report. Marks will be partitioned as:

Research/Practical work (50%)

Project Report (40%)

Presentation (10%)

6. STUDY BUDGET

Lectures

Practicals 180

Tutorials

Self Study

Writing Up 20

Total Hours 200



119

1. GENERAL INFORMATION Title MChem Group Project

Unit code CM3620


Level 3

Pre-requisite units Level 1 & 2 core Chemistry units

Co-requisite units

Member of staff responsible Dr Andrew Horn

2. AIMS To introduce more extended and demanding practical procedures

To encourage greater independence in carrying out practical procedures

To develop more extended analysis of experimental results

To develop team working and group study skills

To learn modern literature and database searching methods

To perform a self-directed group research project



Intellectual skills Practical skills After completing this unit students should be familiar with a wide range of techniques

and procedures used in modern chemical investigations and should have a firm foundation for pursuing a research project in 4th year with a high level of autonomy. The students should be familiar with literature reviewing, project definition, time and task management, team working and data analysis/reduction. Inter- and intra-group presentations will also enable communication skills to be developed.


4. LEARNING AND TEACHING PROCESSES 6 × 9 hour laboratory sessions 6 × weeks skills training, literature comprehension and project planning sessions 8 × 9 hour laboratory practical sessions Individual literature and analysis work 5. ASSESSMENT METHOD Laboratory practical reports (25%), Literature work and pre-planning report (25%), Group project assessment (from individual report, supervisor’s assessment, poster/presentation and peer assessment) (50%). 6. STUDY BUDGET

Lectures 4

Practicals 126

Tutorials

Self Study 170

Writing Up 100

Total Hours 400



120

1. GENERAL INFORMATION Title Advanced Molecular Electronic Structure Theory

Unit code CM4211

Credit rating 10

Level 4


Co-requisite units

Member of staff responsible Dr N A Burton

2. AIMS The programme unit aims to: To lay the theoretical foundations of ab initio quantum chemistry methods To show how modern electronic structure theory can be used to study molecules and chemical reactions 3. CONTENT Theoretical Foundations (Dr J J W McDouall) Pauli Exclusion Principle and antisymmetry – Schrodinger’s equation, symmetry of the wavefunction, effect of electron spin,

classification of electronic states, the Pauli exclusion principle, antisymmetry, properties and matrix elements of Slater determinants

Hartree-Fock Theory – ab initio calculations, molecular Hamiltonian, energy and wavefunction, self-consistent-field (SCF) equations, Koopmans’ theorem, canonical molecular orbitals

beyond Hartree-Fock Theory – correlation energy, configuration interaction, Brillouin’s theorem, Moller-Plesset perturbation theory, relativistic effects

Application to Chemical Problems (Dr N A Burton) accurate representation of molecular orbitals – Slater and Gaussian type orbitals, polyatomic basis sets, predicting and drawing

molecular orbitals as linear combinations of basis functions, basis sets, predicting and drawing molecular orbitals as linear combinations of basis functions

analysis of potential energy surfaces – symmetry and many-dimensional potential energy surfaces, cartesian and internal coordinates, locating maxima, minima, saddle points and reaction paths

properties derived from potential energy surfaces – energy derivatives, frequencies, normal modes of vibration 4. LEARNING OUTCOMES


construct molecular wavefunctions and energy expressions and predict observable properties with a range of theoretical approximations.

understand how basic ab initio calculations can be used to study potential energy surfaces and molecular properties of small molecules.

Intellectual skills Appreciate advanced theoretical chemistry concepts, including quantum chemistry

notation, vector and matrix representations.

Practical skills Perform basic operations in linear algebra, including matrix and vector arithmetic; and z-matrix structure construction. Interpret computer output from electronic structure calculations.


Further mathematical techniques, analytic thinking and problem solving.

5. LEARNING AND TEACHING PROCESSES 24 lectures The course is split into two 12 lecture blocks and focuses on worked examples and case studies.



121

6. ASSESSMENT METHOD open book examination in January (100%) 7. RECOMMENDED TEXTS J B Foresman and AE Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. C J Cramer, Essentials of Computational Chemistry, Wiley F Jensen, Introduction to Computational Chemistry, Wiley A Szabo and N S Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, McGraw Hill. 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - - 52 24 100



122

1. GENERAL INFORMATION Title Advanced Instrumental Methods

Unit code CM4212


Level 4


Co-requisite units

Member of staff responsible Prof J C Whitehead

2. AIMS

To provide an understanding of the electronic, signal retrieval and spectroscopic instrumentation methods used in modern chemical instrumentation.

3. CONTENT Electronics (Dr J C Whitehead, 8 lectures) electronic devices, networks Sensors and electronic measurement devices AC and step response theory; filters operational amplifier theory and applications digital electronics, digital to analogue and analogue to digital conversion, interfacing Signal Retrieval Methods (Dr P A Gorry, 8 lectures) random signals, noise types filters lock-in amplifiers boxcar averaging digital sampling signal averaging Fourier transform spectroscopy correlation techniques pulse counting

Spectroscopic Instrumentation (Dr A B Horn, 8 lectures)

light sources for spectroscopy – UV, visible, IR techniques for light dispersion and separation detection of light – photodiodes, photomultipliers, bolometers specific techniques – FTIR spectrometry, tuneable diode laser absorption spectrometry, laser-induced fluorescence time-resolved methods – step-scan methods, pump-probe methods novel applications in atmospheric and surface chemistry. 4. LEARNING OUTCOMES


• understand the basic principles and applications of analogue and digital electronics in the context of instrumentation used for chemical measurements.

• understand the basic principles of optical spectroscopic instrumentation and to be aware of various chemical applications of the techniques

Intellectual skills • describe, qualitatively and quantitatively, the major techniques and

instrumentation used to retrieve signals from noise in modern experimental measurements

Practical skills Transferable skills and

personal qualities

5. LEARNING AND TEACHING PROCESSES 24 lectures 6. ASSESSMENT METHOD 1 hour 45 minute written examination in May/June (100%) Continuous assessment and laboratory reports (100%)



123

7. RECOMMENDED TEXTS A J Diefendorfer and B E Holton, Principles of Electronic Instrumentation, 3rd Ed, Saunders, 1984. R P Wayne, Chemical Instrumentation, OUP, 1994. 8. STUDY BUDGET

Lectures 24

Practicals

Tutorials

Self Study 52

Revision 24

Total Hours 100



124

1. GENERAL INFORMATION Title Advanced Topics in Inorganic Chemistry

Unit code CM 4311

Credit rating 10

Level 4

Pre-requisite units Year 2, Core Inorganic Chemistry


Member of staff responsible Dr. Mark Whiteley

2. AIMS The programme unit aims to: • Survey the structure and reactivity of d and f-block metallocene complexes and illustrate the application of the techniques of cyclic voltammetry and variable temperature NMR spectroscopy. • Identify the ability of inorganic species to behave as functional materials and their potential use in a range of applications. • Demonstrate the methods employed to obtain an atomic level protein structure and discuss the impact of gene sequencing on protein structure determination. 3. CONTENT

Organometallic Metallocene Chemistry (Dr. M W Whiteley, 8 lectures • Survey and classification of metallocene types. • Redox chemistry of metallocenes and investigation by cyclic voltammetry. • Indenyl and acyclic ligands, variable hapticity. • f-block metallocenes; structure and bonding in uranocene. Triple-decker complexes. • Fluxional processes in metallocenes and investigation by NMR spectroscopy. Materials Chemistry (Prof P O’Brien, 8 lectures) Types of materials used in biology. Hard materials: shells, bone, intra- and extra-cellular Formation of inorganic structural materials. Types of precipitative process underlying kinetic and thermodynamic processes. Single crystal versus polycrystalline materials - advantages and disadvantages. Amorphous materials, use in detoxification, morphological control • Detailed case studies e.g. abalone. Modern protein crystallography analysis of structure and function, and the post-genomic era (Prof J R Helliwell, 8 lectures) Protein X-ray crystallography; what it is and how it builds on the basics of X-ray crystal structure analysis. The final step is finding the hydrogens; completing a protein structure using synchrotron X-ray with neutron protein

crystallography. The high throughput era of protein crystallography; structural genomics and homology modelling. The difficulties in predicting metalloproteins from genome data. 4. LEARNING OUTCOMES

Category of outcome Students should be able to: Intellectual skills • Discuss advanced concepts in metallocene chemistry.

• Understand the formation and applications of inorganic biological materials. • Describe how the atomic level structure of proteins is determined. • Explain how protein structure coverage at a genome scale is feasible.

5. LEARNING AND TEACHING PROCESSES 24 lectures in Semester 1 6. ASSESSMENT METHOD 1 hour 45 minute written examination in January (100%)



125

7. RECOMMENDED TEXTS M Bochmann, Organometallics 1 and 2, OCP Nos 12 and 13 N.J. Long, Metallocenes, Blackwell Science, 1998. 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - - 52 24 100



126

1. GENERAL INFORMATION Title Supramolecular Chemistry

Unit code CM4312

Credit rating 10

Level 4

Pre-requisite units CM3302 or CH3001/CH3008


Member of staff responsible David Collison

2. AIMS The programme unit aims to: • To introduce students to the concepts of supramolecular chemistry • To highlight the differences in chemical properties between the three rows in the d-block elements and to introduce two

advanced areas of d-block chemistry • To introduce the basic concepts and techniques in the field of molecular magnetism 3. CONTENT Supramolecular and macrocyclic chemistry (Dr R H Laye, 8 lectures)

• classes of supramolecular interactions – electrostatic interactions, metal-ligand bonds • dispersion forces, hydrophobic effects, topological bonds • cation and anion binding – macrocycles, cryptands and spherands • self assembly of metal cages – synthesis of helices, shapes other than helices • coordination polymers – Wellsian classification, designed synthesis of specific nets

Aspects of 2nd and 3rd Row d-Transition Metal Chemistry (Dr I May, 8 lectures) • a comparison between the chemistry of the 1st, 2nd and 3rd row d-transition metals

coordination numbers, redox chemistry, magnetic properties and electronic spectra • metal-metal bonding double, triple and quadruple bonds and cluster complexes • polyoxoanions - isopolyoxometalates, heteropolyoxometalates and lacunary species, their catalytic activity and ligand

behaviour Molecular Magnetism: Theory and applications (Dr D Collison, 8 lectures)

• isolated magnetic centres: dia-, para-magnetism, magnetisation, magnetic susceptibility • Curie and Curie-Weiss Laws, Van Vleck equation, magnetic anisotropy • techniques: Gouy method, SQUID, EPR • ferromagnetic and antiferromagnetic exchange, dimers and larger clusters • useful magnetic properties, magnetic hysteresis and bistability



• Define a supramolecular interaction, illustrate rotaxanes and catenanes schematically, define the macrocyclic effect and discuss self assembly processes

• Understand the distinct chemistry of 2nd and 3rd row d-transition metal complexes and possess a detailed knowledge of metal-metal bonding and polyoxometallates

• Understand the magnetic properties of isolated molecules and assemblies of molecules

Intellectual skills Appreciate advanced inorganic chemistry concepts, including structure/bonding

relationships and the connections between electronic and magnetic structure.

Practical skills Classify the geometric structure of polymetallic compounds using modern nomenclature. Build theoretical magnetic models for paramagnetic, polymetallic



127

clusters


Further representation of 3-dimensional objects in 2- and 3- dimensions, analytic thinking, problem solving.

6. LEARNING AND TEACHING PROCESSES The unit is split into three 8 lecture blocks and focuses on worked examples wherein basic principles are extended to the study of complex systems through a didactic, problem-based approach. 7. ASSESSMENT METHOD 1 hour 45 minute written examination in May/June (100%) 7. RECOMMENDED TEXTS P D Beer, P A Gale and D K Smith, Supramolecular Chemistry, OCP No 74 C E Housecroft, The Heavier d-Block Metals, OCP No 73 O Kahn, Molecular Magnetism, VCH Publishers, 1993 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - - 52 24 100



128

1. GENERAL INFORMATION Title Case Studies in Inorganic Chemistry

Unit code CM4322

Credit rating 10

Level 4

Pre-requisite units (CM3210, CM3311) or (CH3001, CH3008)

Co-requisite units

Member of staff responsible Dr Alan K Brisdon

2. AIMS The programme unit aims to: Provide students with an up-to-date knowledge and understanding of recent advances in selected inorganic topics (see below). Provide an appreciation of research methods in inorganic chemistry. 3. CONTENT The module will be composed of eight topics. These will cover the following areas: Materials chemistry (Prof P O’Brien, 3 lectures) Supramolecular chemistry (Prof R E P Winpenny, 3 lectures) Post-petrochemical polymers (Dr F S Mair, 3 lectures) Molecular magnetism (Dr E J L McInnes, 3 lectures) Luminescent metal complexes (Dr S Faulkner, 3 lectures) Actinide coordination chemistry (Dr I May, 3 lectures) Fluorine chemistry (Dr A K Brisdon, 3 lectures) Bioinorganic chemistry (Dr S L Heath, 3 lectures) 4. LEARNING OUTCOMES


Extend ideas from core inorganic chemistry to advanced topics in the areas covered; Understand the chemistry and applications of the selected topic areas.

Intellectual skills Interpretation of structural, spectral and chemical data; Deducing chemical information from given data; Predict properties, spectra etc for “unseen” compounds.

Practical skills N/A


Problem solving;

5. LEARNING AND TEACHING PROCESSES Lectures will be given on a topic-based approach by staff with relevant research expertise in the appropriate areas. Primary research literature/data will be presented and discussed. 6. ASSESSMENT METHOD 100% examination 7. RECOMMENDED TEXTS General material: F A Cotton & G Wilkinson, Advanced Inorganic Chemistry, Wiley. N N Greenwood & A Earnshaw, Chemistry of the Elements, Pergamon. Other references will be given during the course.



129

8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 - - 52 24 100



130

1. GENERAL INFORMATION Title Advanced Organic Synthesis

Unit code CM4411


Level 4


Co-requisite units

Member of staff responsible Dr Darren J Dixon

2. AIMS The programme unit aims to: • To provide an up-to-date account of modern synthetic organic chemistry • To cover key synthetic transformations in depth and to put them in context in synthesis • To cover the strategies employed in the total synthesis of complex natural products 3. CONTENT Asymmetric Synthesis (Prof J P Clayden, 8 lectures) • the Chiral Pool – exploiting the molecules of nature – sugars & amino acids as starting materials • asymmetric functionalisation of prochiral units, asymmetric C-C bond formation • Chiral Auxiliaries – recyclable chirality – asymmetric alkylation of enolates, asymmetric aldol reactions • chiral reagents and chiral catalysts – asymmetric hydroboration, asymmetric oxidations (epoxidation, dihydroxylation) and

reductions (the CBS catalyst, asymmetric hydrogenation) • ligand-accelerated catalysis and organocatalysis • examples of biologically and commercially important syntheses of drugs and of natural products based on asymmetric

methods Organoboron, Silicon, Sulphur and Selenium Compounds in Organic Synthesis (Prof E J Thomas, 8 lectures) • The formation and application of organoboron reagents in synthesis: hydroborations, boron enolates, allylboranes,

oxidations, carbonylations • The formation and application of organosilicon reagents in synthesis: vinyl silanes, allyl silanes, silyl enol ethers • The formation and application of organosulphur compounds in synthesis: sulphides, sulphoxides and sulphones, sulphur

centred electrophiles and nucleophiles, [2,3]-sigmatropic shifts, syn-eliminations • The formation and application of organoselenium compounds in synthesis Total Synthesis (Dr D J Dixon, 8 lectures) • The power of ring forming reactions • Symmetry based design • Latent and masked functionality • Intramolecularisation and the tethering concept • Tandem and consecutive processes • Multicomponent reactions • Parallel synthesis and combinatorial chemistry 4. LEARNING OUTCOMES


• appreciate how modern synthetic organic chemistry is conducted • propose synthetic routes to complex organic structures

5. LEARNING AND TEACHING PROCESSES 24 lectures



131

6. ASSESSMENT METHOD 1 hour 45 minute written examination in January (100%) 7. RECOMMENDED TEXTS • Organic Chemistry, Clayden, Greeves, Warren and Wothers, Oxford University Press • Organic synthesis : the roles of boron and silicon, S. E. Thomas, Oxford chemistry primers, Oxford University Press, 1991 • Organosulfur chemistry, Gordon H. Whitham, Oxford chemistry primers, Oxford University Press, 1995 • Advanced organic chemistry, Jerry March, Wiley, 1992 8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 0 0 52 24 100



132

1. GENERAL INFORMATION Title Advanced topics in organic chemistry

Unit code CM4412

Credit rating

Level 4th Year

Pre-requisite units

Co-requisite units

Member of staff responsible Professor SL Flitsch

2. AIMS The programme unit aims to: Describe three developing areas of modern organic chemistry 3. CONTENT Enzyme Mechanisms and Biocatalysis (Prof NJ Turner, 8 lectures) Solid-phase Synthesis and Applications in Chemical Biology (Prof SL Flitsch, 8 lectures) Aspects of Pre-biotic Chemistry and Evolution (Professor JD Sutherland, 8 lectures) 4. LEARNING OUTCOMES


Understand the organic chemistry of basic biochemical processes

Intellectual skills Apply this knowledge to topics in Chemical Biology

Practical skills


Participate in workshops involving small groups

5. LEARNING AND TEACHING PROCESSES Via lectures and workshops 6. ASSESSMENT METHOD Written examination in May/June (100%) 7. RECOMMENDED TEXTS TDH Bugg, Introduction to Enzyme and Coenzyme Chemistry, Blackwell, 2nd Ed, 2004. J Mann, Chemical Aspects of Biosynthesis, OUP, 1994. GL Patrick, An Introduction to Medicinal Chemistry, OUP, 2005.



133

8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24



134

1. GENERAL INFORMATION Title Organometallics

Unit code CM4521

Credit rating 10

Level 4

Pre-requisite units CM2310 and CM2410

Co-requisite units

Member of staff responsible Dr David J Berrisford

2. AIMS The programme unit aims to: Provide an overview of advanced topics in organometallic chemistry including fundamental aspects of structure and bonding, applications in organic synthesis, transition metal catalyzed coupling reactions, the study of fluxional complexes, and the isolobal analogy. Highlight current applications of this technology in the synthesis of bioactive molecules. Emphasise aspects of core inorganic and organic chemistry that are essential to the study of organometallic complexes and their reactivity. Illustrate the importance of this topic in contemporary research and development. 3. CONTENT

• Brief revision of topics covered in CM2310 (Organometallics section). • Metal alkyl synthesis and reactivity. • Applications of main group metal complexes to organic synthesis. • The breakdown of transition metal alkyl complexes. • Transition metal coupling chemistry (including Heck, Stille, and Susuki coupling). • Carbene chemistry and advanced aspects of metathesis chemistry (Grubbs and Schrock). • The Isolobal analogy. • �-Complexation and the application of late transition metal complexes to asymmetric and directed alkene

hydrogenation and hydroformylation chemistry. • �-Allyl and arene complexes. • The Davies-Green-Mingos rules.



• Describe the fundamental mechanistic principles governing the reactivity of main group and transition metal organometallics.

• Discuss the stability and breakdown of metal complexes. • Provide the mechanisms of common catalytic organometallic reactions. • Discuss the applications of these reactions to regio-, chemo-, and

stereoselective organic synthesis. • Describe the isolobal analogy and the DGM rules. • Provide examples of fluxional organometallic complexes and account for their

variable temperature nmr spectra.

Intellectual skills • Apply the basic principles to tackle unseen problems in organometallic chemistry.

Practical skills • None

Transferable skills and

personal qualities • Problem solving

5. LEARNING AND TEACHING PROCESSES Lectures and problem classes



135

6. ASSESSMENT METHOD Written Examination 7. RECOMMENDED TEXTS

Ch. Elschenbroich and A. Salzer, "Organometallics: A Concise Introduction", VCH. R.H. Crabtree “The Organometallic Chemistry of the Transition Elements” 2nd Edition Wiley. M. Bochmann, "Organometallics 1" and "Organometallics 2", Oxford University Press Chemistry Primer Series. L.S. Hegadus, “Transition Metals in the Synthesis of Complex Organic Molecules”, University Science Books. J. Clayden, N. Greeves, S. Warren, P. Wothers "Organic Chemistry" Oxford University Press.

8. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Revision

Total Hours

24 48 28 100



136

1. GENERAL INFORMATION Title NMR and MS Techniques in Organic Chemistry

Unit code CM4522

Credit rating 10

Level 4


Co-requisite units n/a

Member of staff responsible Dr Vasudevan Ramesh

2. AIMS The programme unit aims to: To introduce the theory and application of modern NMR and MS techniques in Organic Chemistry. To elaborate the principles and experimental methods involved in the acquisition and interpretation of one- and two-dimensional NMR spectra, and of conventional and tandem mass spectra. To demonstrate the application of NMR and MS data in organic structure elucidation with suitable examples.

3. CONTENT NMR Spectroscopy (Dr V. Ramesh, 12 lectures and 4 example classes)

Introduction and revision of basic principles of NMR.

1H, 13C chemical shifts; multinuclear NMR. Relationship between the spectrum and molecular structure. Spin–spin coupling; H-H, C-H coupling constants; Karplus relationship.

Analysis of NMR spectra ; Nomenclature of spin systems. Fourier transformation ; sensitivity enhancement; nuclear relaxation. Multipulse NMR techniques; spin-echo experiment; DEPT experiment. Two-dimensional NMR; chemical shift correlation ( COSY, TOCSY, HMQC, HMBC ). The Nuclear Overhauser Effect; 1D NOE and 2D NOESY. NMR Applications; dynamic NMR; lanthanide shift. reagents Mass Spectrometry (Prof S. Gaskell, 12 lectures and 4 example classes) Modern MS ionization methods (electron ionization, chemical ionization, fast atom bombardment, electrospray, matrix-assisted laser desorption/ionization) Unimolecular fragmentations of gas-phase ions Rearrangement processes in the gas phase Ion separation techniques (using magentic sectors, quadrupoles, time-of-flight, quadrupole ion traps and ICR) and their application Interpretation of conventional mass spectra Collisional activation of ions and tandem MS methods The design of analytical strategies involving MS 4. LEARNING OUTCOMES


• Demonstrate an understanding of the NMR phenomenon and its applications • Explain the significance of chemical shifts (1H,13C) and their use in functional

group identification • Describe the physical basis of spin-spin coupling • Exemplify how coupling constants can be used to determine sterechemical

relationships • Describe the various components of a modern superconducting NMR

spectrometer • Show how enhancement of sensitivity takes place due to Fourier transformation • Distinguish spin-lattice ( T1) and spin-spin (T2) relaxation times and how they can

be measured • Explain the utility of multipulse NMR in spectral simplification • Describe in a simple way how 2D NMR works and the different types of

experiments that can be performed • Rationalise the NOE effect ( 1D and 2D ) can be used to solve organic structural



137

problems • Demonstrate how NMR can be applied to investigate dynamic effects ( e.g.

barriers to rotation etc ) • Show how shift reagents can be used to resolve spectral complexity • Describe the essential features of MS instrumentation • Explain the mechanisms of the following MS ionisation methods: electron

ionisation, chemical ionisation, ion evaporation and desorption methods • Explain the principles governing unimolecular fragmentations in the gas phase • Rationalise the mechanisms of common gas-phase ion rearrangement processes • Explain the physical principles involved in the common ion separation techniques

applied in modern MS (including time-of-flight and separations in magnetic and electric fields)

• Describe the principles of collisional activation of gas-phase ions and the associated analytical techniques of tandem MS

Intellectual skills • Apply chemical shift and coupling constant data to interpret NMR spectra

• Analyse NMR spectra (1H,13C) to determine the structure of simple organic compounds

• Analyse mass spectrometric data for structure interpretation • Design analytical strategies for MS analyses based on the properties of the

intended analyte

Practical skills n/a 5. LEARNING AND TEACHING PROCESSES 2 sets of 12 lectures on each of the above topics (NMR and MS) , supplemented by example classes. Each student has a personal tutor to provide general academic and personal guidance during the course programme. 6. ASSESSMENT METHOD 1 hour 45 minute written examination in May/June ( 100% ) 7. RECOMMENDED TEXTS 1) Introduction to NMR Spectroscopy by R.J. Abraham, J. Fisher and P.Loftus; J. Wiley & Sons, 1988 2) High Resolution NMR techniques in Organic Chemistry by T.D.W. Claridge; Pergamon, 1999. 3) Basic One- and Two-Dimensional NMR Spectroscopy by H. Friebolin ; Wiley & VCH, ; 2004 4) Practical Organic Mass Spectrometry by J.R. Chapman, 2nd edition, Wiley, 1993 5) Mass Spectrometry for Chemists and Biochemists by R.A.W. Johnstone and M.E. Rose, 2nd edition, Cambridge

University Press, 1996 6) Iinterpretation of Mass Spectra by F.W. McLafferty and F. Turecek, 4th edition, University Science Books, 1993 8. STUDY BUDGET

Lectures

Practicals

Tutorials (example class)

Self Study

Revision

Total Hours

24 - 8 45 23 100



138

1. GENERAL INFORMATION Title MChem Chemistry Project

Unit code CM4600


Level 4


Co-requisite units

Member of staff responsible Dr Sarah L. Heath

2. AIMS

(Literature based projects are not allowed.) This two semester project exposes Students to: developing a research strategy with minimal supervision writing a detailed scientific report with full bibliography presentation and viva voce (interview) examination on the project work. 3. LEARNING OUTCOMES


Intellectual skills Students successfully completing this unit will have developed the ability to: undertake a substantial research project with a high degree of autonomy produce an detailed scientific report on their research display their knowledge of the research topic and defend their course of investigation in

an oral examination Practical skills


4. LEARNING AND TEACHING PROCESSES Research with minimal supervision by a member of staff 5. ASSESSMENT METHOD n assessing the marks for the project, the following factors will be taken into account: Practical work – motivation and effort; practical skill and competence; initiative and independence; achievement. Report – quality and range of scientific content; demonstration of understanding; quality of presentation. (see also section 5.6 for brief guidelines on the preparation of a project report and further information on assessment criteria)

Marks will be partitioned as: Research/Practical work (40%) Project Report (40%) Presentation and Interview (20%). 6. STUDY BUDGET

Lectures

Practicals

Tutorials

Self Study

Writing Up

Total Hours 600



139

Criteria for MChem Project Assignment There are two paramount considerations for project assignment: student choice staff teaching loads As far as possible assignment will follow student choice, however staff will not be allowed to supervise more than TWO MChem

students, except under very exceptional circumstances. Past experience suggests that if staff are given more than two MChem project students, the quality of supervision deteriorates. Students should be aware of this guideline when proposing supervisors – if you choose exclusively supervisors who are likely to be very popular, you are likely to be asked to choose again (see below).

Final year MChem students will be required to choose TEN possible supervisors. They will be advised to speak to as many

staff as possible before choosing, as this will make their choice more informed. If a student gives fewer than ten alternative supervisors their preferences will be considered after the preferences of students who give ten names.

As far as possible, students will be given their first choice supervisor. However where more than two students have chosen the

same supervisor as first choice, the other chosen supervisors will be considered as alternatives. If a large number of students make similar choices, creating a problem in assigning a supervisor, the students will be

assigned in such as way as to give as many students as possible one of their first five choices. Students who have made fewer than ten choices will receive lowest priority. If it is not possible to allocate students to one of their ten choices in this way the project will be allocated, in discussion with the student, from one of the remaining projects.

part iii chemistry course unit directory - university of …€¦ · · 2006-07-19part iii...

Documents