Chemical Physics-4H

Class Head: Dr. J.H. Dymond

CLASS HANDBOOK

Department of Chemistry
Glasgow University


COURSE DOCUMENTATION
1997-1998


Chemical Physics-4M
(Chemistry Component)



Course Heads: Dr. John H. Dymond
Dr. Lutz Hecht


CONTENTS PAGE

General information 3 Timetable 5
Project timetable 6
Safety 6
Guidelines for writing a thesis 7
Booklist 9
Aims & objectives of courses 10


POLICY ON SUMMATIVE ASSESSMENT
All feedback on coursework used in assessment, including mid-year class exam/class test marks and laboratory grades, is strictly provisional for your guidance only, and is subject to ratification by the Board of Examiners and external examiners at the end of the academic year. You must retain all copies of assessed work (lab notebooks, exam scripts, etc.) and have them available for inspection by the examiners if requested at the end of the year. You will be given reasonable advance warning should this be required.
PLAGIARISM
Degrees from Glasgow University recognise personal achievement. Plagiarism or copying is academic fraud and a serious offence against University discipline.
Plagiarism is the submission of someone else's work as one's own without acknowledgment. If you use someone else's work - words, ideas, data - you should say so. Direct quotations should be placed in quotation marks.
This regulation applies to all work submitted for assessment, including lab reports, class tests and research projects unless you have specifically been told otherwise, for example in the case of a group project or when a number of students share experimental data.




GENERAL INFORMATION:CHEMICAL PHYSICS-4M

SESSION 1997-98

ORGANIZATION

The Chemical Physics Course is organized jointly by the Departments of Chemistry and Physics and Astronomy. The Class Heads are Dr. John H. Dymond, Tel: 0141-330-5949 (direct), Room A5-21, and Dr. Lutz Hecht, Tel: 0141-330-2261 (direct), Room A5-14 (Chemistry) and Dr. D. V. Cumming, Tel: 0141-330-5390 (direct), Room 532 (Physics and Astronomy). Please contact them at any time if there are matters that you wish to discuss concerning the course.

ILLNESS AND ABSENCE FROM CLASSES

In the event of illness or other reasons for absence, Dr Dymond or Dr. Hecht, and Dr. Cumming, should be notified as soon as possible and, if appropriate, a relevant medical certificate should be submitted.
If you believe that your performance in the course has been adversely affected for medical or other reasons and you wish to draw this to the attention of the Board of Examiners it is essential that you write to the Class Heads in each department to inform them of the circumstances.

TIME-TABLE

A time-table for Chemical Physics-4M (Chemistry) is given on page 5. You should obtain an additional time-table for Chemical Physics-4M (Physics) from the Department of Physics and Astronomy. Please report any time-tabling problems immediately to Dr Dymond or Dr. Hecht, and Dr. Cumming.

LECTURE COURSES

All courses consist of eight lectures. They will be given in the Physical Chemistry Lecture Theatre, except for Dr. Hecht's course, which will be given in room A5-07.

SUMMARY OF LECTURE COURSES

Molecular Spectroscopy Dr Tyler
Surface Science Dr Kadodwala
Heterogeneous Catalysis Dr. Stirling
Advanced Group Theory Dr Hecht
Laser Spectroscopy Dr Tyler
Modern Molecular Calculations Dr Webster
Chirality Dr Peacock
Solid State Chemistry Dr McComb


TUTORIALS

Tutorials in Inorganic and Physical Chemistry will be given at times to be arranged.




STUDENT PROGRESS

Your performance of class work will be considered satisfactory only if :

(a) you regularly attend lectures and tutorials,
(b) you carry out a research project which - in the Chemistry Department - should follow the timetable given later in this handbook and, in this case,
(c) you give a short oral presentation in week 19, and
(d) you provide the Chemistry Department with one copy of a thesis on your project by the first day of the third term.

EXAMINATIONS

The chemistry component of the M.Sci. final degree examination consists of a research project and three written papers. The thesis project will be assessed on the basis of the thesis itself, the work performed in the laboratory and an oral examination on the thesis work.
The project contributes a maximum of 9% to the final mark, with the other contributions:mathematical and computational methods for physics (5%), course work in each of chemistry and physics (36.5%) and -3M laboratory work in each subject (6.5%). The chemistry-3M written mark contributes up to 20% of the course work mark.

All students must be available for oral examination by the external examiners on Tuesday, 16th June, 1998. This is an integral part of the degree examination.

CAREERS TALK AND DISCUSSION

Tuesday 4th November 1 pm Organic Lecture Theatre.
Dr. N. Winterton, ICI, "To do or not to do a PhD", followed by open ended discussion.
Professor Winfield and Dr. Dymond will arrange individual interviews for all students early in Term 1 to discuss their choices of a future career.

LECTURES

Alchemist Club and local R.S.C. meetings: Attendance at these talks, which are held on Thursdays at 4 pm, and at the Irvine Review Lectures is recommended and encouraged. The Irvine Review Lectures will be given in St. Andrews during April, 1998.

FOURTH YEAR PROJECT TIMETABLE

Dr Peacock (RDP) is in overall charge of fourth year projects.

Week 1 Project supervisors announced to class.
Students contact supervisors and agree on projects.
Week 2 Supervisors give students two copies of a synopsis of the project including a title and leading references.
One copy of the project synopsis should be given to RDP.
Week 4 Project assessors announced.
Students contact assessors.
Week 5 Practical work may begin from the start of this week provided a COSHH form has been completed, signed by the supervisor and given to Mrs M Nutley (Room B4-20a). If the nature of the research changes during the project new COSHH forms must be completed.
Week 10 Students give their thesis introduction to RDP who will pass it on, with any comments, to the supervisor. The supervisor will return the introduction in the first week of term 2.
The Introduction should be around 5 -10 pages, word processed, and include a full list of references.
Week 15 Friday: Last day of practical work.
Week 19 Thesis talks (15 mins - not assessed).
Week 20 Friday: Final draft of thesis approved by supervisor.
Week 21 Monday: Last day for submission of theses. One copy to be supplied to Mr R Munro - he will make a copy (or copies) for the Department, and bind and return the original.
Weeks 22-23 Oral examinations. These will be conducted by the assessor and a second member of staff. The supervisor will not be present.

SAFETY

The Departmental Safely Committee has issued the following guidelines.

1. Experimental work should normally not start before 9.00 am and should normally finish by 5.00 pm.

2. Should it be necessary to work outwith these hours for short periods this must be approved by the supervisor and the usual rules of late working will apply. If the supervisor has to leave before experimental work is complete written permission must be given and in such cases a designated proxy ( academic, post-doctoral or senior technical staff) must be present in the building.

3. Access to IT equipment will be available only when Janitors are present in the building.






GUIDELINES FOR PRESENTING AND WRITING A THESIS

The thesis counts for 40% of the marks assigned to the project and, in addition, is the only tangible result of your work which can be shown to the External Examiners. It is therefore important that you do not let yourself down by a badly written or produced thesis.

Technical Points

The thesis should be word processed (the Department now has an adequate number of PC's with WORD 6 installed).

The font should be clear. Fonts normally used are Times New Roman or Arial (usually 10, 11 or 12 point). This document is written in Arial 10pt. with main headings in 12 pt bold.

The thesis should use 1.5 line spacing and have a reasonable margin on the left hand side to allow for binding. (WORD 6 gives default margins of 3.17 cm left and right and 2.54 cm top and bottom which are acceptable).

Pages should be numbered consecutively, as should diagrams and spectra. Since the word processor will do the numbering for you, it is easier if you do not include whole page diagrams or spectra in the page numbering, but this is a matter of choice.

Chemical structures can be drawn using ChemWindow and copied into WORD 6. On the other hand there is nothing wrong with Xeroxing in structures (and indeed diagrams) provided that the result looks neat and clear.

References

Referencing work is very important and is frequently badly done. The format shown in the following examples is that employed by the Royal Society of Chemistry. It should be used unless your supervisor suggests an alternative.

1. Journal articles: (Journal in italics, year, volume no in bold, page no)

I. A. Fallis, L. J. Farrugia, N. M. Macdonald and R. D. Peacock, J. Chem. Soc. Dalton Trans., 1989, 931.
P. R. Mallinson and K.W. Muir, J. Appl. Crystallogr., 1985, 18, 51.

other possibilities are:

unpublished work, in press, personal communication.

2. Books: (Title in italics, publisher, place, year, vol no, page if necessary)

International Tables for X-ray Crystallography, Kynoch Press, Birmingham, 1974, vol 4.
3. Theses:

N. M. Macdonald, Ph. D. thesis, University of Glasgow, 1994
P.A. Lovatt, B. Sc. thesis, University of Glasgow, 1993


Content

The thesis should contain

Title page
Acknowledgements
Contents page (with page numbers)

A one page Abstract

Introduction
Experimental Section,
Results and Discussion (or Results and Discussion as separate sections)
Conclusions
References

The above is the logical order, but in some areas it is normal to put the experimental section at the end - consult your supervisor.

The INTRODUCTION should set the work in context, review previous work (fully referenced), describe any techniques or theories with which you were unfamiliar when you began the research, and describe what you intended to do.

The EXPERIMENTAL SECTION should give full experimental details of all reactions or experiments carried out. It is particularly important to indicate which are literature preparations and which are novel. If a literature preparation is reported it is important to note if you modified it or if it behaved in an unexpected way. New compounds should be as fully characterised as possible and it is a good idea to include the actual spectra of new compounds.

The DISCUSSION is extremely important and is often where students do not do themselves justice. A project where absolutely nothing has worked can be made interesting by discussing WHY things went wrong. In any case the discussion is often where you show how much of the project you understood!

The CONCLUSIONS should summarise the work and suggest how it could be continued in the future.

The ABSTRACT will be similar to the Conclusions but should be concise and incisive - it is the first thing an examiner will read, and should encourage him or her to read the rest of the thesis!

Finally: SPELL CHECK YOUR THESIS.



CHEMICAL PHYSICS - 3M & CHEMICAL PHYSICS - 4M

RECOMMENDED TEXTBOOKS FOR 1997-98


Inorganic Chemistry: Second Edition, D. F. Shriver, P. W. Atkins and C. H. Langford, Oxford University Press, 1994, £19.50.

Physical Chemistry, Second Edition, R. A. Alberty and R. J. Silbey, John Wiley, 1992. £21.00.

Chemical Bonding Theory, B.C. Webster, Blackwell Scientific, Oxford, 1990, £19.95

Basic Solid State Chemistry, A. R. West,John Wiley, £18.50.

Structural Methods in Inorganic Chemistry, Second Edition, E. A. V. Ebsworth, D. W. H. Rankin and S. Craddock, Blackwell, £19.95.
Particularly useful for laboratory and tutorial work and helpful in problem solving.

The Mechanisms of Reactions at Transition Metal Sites, R. A. Henderson, Oxford Science Publications, £4.99.


NOTE: ALL PRICES ARE SUBJECT TO CHANGE BY PUBLISHERS AT ANY TIME


Other books may be recommended by lecturers.



REFERENCE BOOKS HELD IN THE CHEMISTRY BRANCH LIBRARY


Chemical Applications of Group Theory, Third Edition, F. A. Cotton, John Wiley.

Tables for Group Theory, P. W. Atkins, M. S. Child and C. S. G. Phillips, O.U.P.

Molecular Quantum Mechanics, Second Edition, P. W. Atkins, O.U.P.

Modern Spectroscopy, Third Edition, J. M. Hollas, John Wiley.

Fundamentals of Molecular Spectroscopy, Fourth Edition, C. N. Banwell, McGraw-Hill.

Crystal Structure Analysis: A Primer, Second Edition, J. P. Glusker and K. N. Trueblood, O.U.P.

Symmetry and Structure, S. F. A.Kettle, John Wiley.

Physical Chemistry, Fifth Edition, P. W. Atkins, OUP.

Title: Molecular Spectroscopy

Duration: 8 hours

Lecturer(s): Dr J K Tyler

Aims: This course aims to cover the fundamentals of molecular spectroscopy and to show how details of molecular structure can be deduced from the study of rotational, vibrational and electronic spectra of molecules.

Objectives:
After this course the student should understand the basic principles underlying the following topics:

1. Energy changes and spectroscopic transitions. Units of spectroscopic measurements.

2. The Born-Oppenheimer approximation. The Boltzmann distribution and the population of molecular energy states.

3. The basis of selection rules. Spontaneous and stimulated transitions. Spectral line shapes. The principles of laser action.

4. Rotational spectra of molecules in the microwave and far-infrared regions.

5. Vibrational spectra of molecules in the infrared region.

6. Rotational and vibrational Raman spectroscopy.

7. The elucidation of detailed molecular structures from spectroscopic measurements.


Outline:
Molecular energy changes and molecular spectra. Spectroscopic units. The Born Oppenheimer approximation and molecular motions. The Electromagnetic Spectrum. The interaction of e.m. radiation and matter. Einstein A and B coefficients. The Boltzmann distribution. Spectroscopic selection rules. Principles of laser action.

Rotational angular momenta and energy levels. Classification of molecular rotors through principal moments of inertia. Details of selection rules and resulting spectra. Effects of applied electric fields - the Stark effect. The determination of electric dipole moments. Molecular structure elucidation. Practical considerations.
Vibrational spectra in the infrared region. The harmonic and anharmonic models for the diatomic molecule. The Morse potential. Polyatomic molecules and normal modes of vibration. Group frequencies. Rotational fine structures in molecular vibration spectra. Experimental aspects.

Light scattering and Raman specroscopy. Rayleigh and Raman scattering. Virtual states, polarisability and selection rules. Pure rotational and vibrational-rotational Raman spectra. Polarisation of Raman transitions.




Title: Surface Science

Lecturer(s): Dr M Kadodwala

Aims: To serve as an introduction into surface science, to describe modern spectroscopic techniques of surface analysis and how they can be applied to model systems.


Objectives:

1. Understand why UHV techniques are necessary to study model systems.

2. Be fluent in the nomenclature of surface structure and to understand concepts such as surface relaxation and reconstruction.

3. Understand low energy electron diffraction and how it can be applied in the determination of surface structure.

4. Understand adsorption at surfaces, and the importance of physisorption and chemisorption.

5. Know why electron based spectroscopic techniques are employed in surface science and be familiar with those commonly used.

6. Understand the technique of temperature programmed desorption and its kinetics.

7. Know about vibrational spectroscopy at surfaces and their selection rules.



Outline:
What is surface science ?
Ultra high vacuum, single crystal surfaces, surface density.
Techniques generally, electron surface sensitivity.

Electron spectroscopy:
Energy distribution curves
Auger electron spectroscopy
X-ray photoelectron spectroscopy (chemical shifts, relaxation)
UV photoelectron spectroscopy.

General adsorption:
Physisorption
Chemisorption
Sticking probability
Langmuir and precursor state adsorption
Accommodation.

Thermal desorption spectroscopy:
Kinetics of desorption.

Surface Structure:
Nomenclature
2D Bravais lattices
Relaxation

Low Energy electron diffraction (LEED):
Electron diffraction
Ewald sphere construction.
Reconstruction
Matrix notation.

Vibrations at surfaces:
RAIRS, HREELS, SERS, SFG
Selection rules
Vibrational relaxation.



Title: Surface Chemistry and Heterogeneous Catalysis

Lecturer(s): Drs D Stirling and D Lennon

Aims: To provide an introduction to the main concepts of heterogeneous catalysis through the study of the chemistry and kinetics of reactions occurring at the catalyst surface. Particular emphasis is given to the manufacture, characterization and testing of catalysts to demonstrate how catalysts can be designed for specific reactions.

Objectives:

1. Be able to derive the Langmuir isotherm for (a) the adsorption of a single substance at a solid surface and (b) the competitive adsorption of two gases at the same solid surface.

2. Appreciate the factors that are important for the design and preparation of supported catalysts.

3. Have knowledge of experimental methods used to characterise heterogeneous catalysts.

4. Understand the derivation of appropriate kinetic expressions for unimolecular and bimolecular surface-catalysed reactions and the use of kinetic measurements to determine reaction mechanisms.

5. Understand the Langmuir-Hinshelwood and Rideal Eley mechanisms with reference to alkenes, alkynes and alkadienes.

6. Understand the terms structure sensitive/insensitive, selectivity and stereospecificity in relation to catalytic processes.

Outline:
Introduction to the principles of heterogeneous catalysis by linking together concepts developed in earlier physical, inorganic and organic chemistry lectures; physical and chemical adsorption at the surface of a solid; interactions in supported metal/metal oxide catalysts; reference to the design of catalysts tailored to specific industrial processes; the preparation of supported metal/metal oxide catalysts exemplified both by model catalysts which are currently being developed in the laboratory and well characterised industrial catalysts; the use of surface science techniques, temperature programmed desorption and reduction, surface area determination and modern spectroscopic methods in the characterisation of catalysts; rates and kinetic modes of reactions exemplified by catalysed reactions used for large scale organic/inorganic synthesis and processes designed to provide a cleaner environment.



Title: Advanced Group Theory

Lecturer: Dr. rer. nat. L.Hecht

Aims: To further develop the group theoretical arguments presented in the third year lecture course on molecular symmetry into more sophisticated concepts and demonstrate valuable applications in atomic and molecular physics by means of worked examples.


Objectives:

1. Specify the characters of symmetrized and anti-symmetrized direct product representations and apply them to the characterization of singlet and triplet states and the Jahn-Teller effect.

2. Characterize double groups for molecular species with an odd number of electrons and use the character tables of double groups to solve simple problems such as the determination of spin-orbit and crystal field splitting schemes.

3. Define the time reversal operator in classical and quantum mechanics, state Kramers' theorem and generalize the matrix element selection rule to cover time-even or time-odd operators and even- or odd-electron states.

Outline:

Because it is essentially qualitative yet still mathematically rigorous, group theory is an excellent vehicle for physicists to employ when venturing into the chemistry jungle since molecules are usually too complicated for the application of detailed analytical physics. A central theme of this course is the proper treatment of degeneracies, which is glossed over in the third year molecular symmetry course.

Further development of the concept of direct products to include symmetrized and antisymmetrized direct product representations and their associated characters, determination of singlet and triplet states of transition metal complexes, group theoretical background to the Jahn-Teller effect.

Double finite point groups, specification of spin-orbit crystal field states.

Classical and quantum-mechanical versions of the time reversal operator, time-even and time-odd physical quantities, anti-unitary operators, Kramers' theorem, general selection rule for matrix elements of even- and odd-electron systems with time-even and time-odd operators, time reversal operator for spin particles, time reversal and extra degeneracies, existence of permanent electric and magnetic dipole moments in degenerate states, Jahn-Teller effect in the presence of spin-degeneracy.



Title: Laser Spectroscopy

Lecturer(s): Dr J K Tyler

Aims: This course is intended to introduce the principles of laser operation in general and the details of specific devices. Some important applications of lasers in chemistry and spectroscopy are touched on.

Objectives:

1. The nature of radiative transitions and basic laser theory.

2. Ways of achieving population inversions.

3. Optical gain and feedback, and the criteria for pulsed and continuous operation.

4. Rare gas discharge lasers, molecular infrared gas lasers, hydrogen halide chemical lasers and organic dye solution lasers.

5. Diode lasers.

6. Excimer lasers and super-radiance.

7. The laser as a spectroscopic source and as an excitation source for Raman spectroscopy.

8. Flash photolysis with lasers.

9. Multiphoton processes and infrared photochemistry.


Outline:
Radiative and non-radiative energy changes. Spontaneous and stimulated radiative processes and basic laser theory. Practical realisation of laser action. Population inversion. The ammonia maser. Optical gain and feedback. The ruby and neodymiun ion lasers. Criteria for pulsed and continuous operation. Rare gas discharge lasers. Details of the He/Ne device. Molecular gas lasers operating in the infrared region exemplified by the CO2/N2 system. Hydrogen halide chemical lasers. Organic dye solution lasers.

Semiconductor levels and diode lasers. The N2 laser. Super-radiance. Excimer and exciplex lasers. The nature of laser radiation. The laser as a spectroscopic source. Tunability. The laser as an excitation source for Raman spectroscopy. Flash photolysis with lasers. Multiphoton processes. Infrared photochemistry. Laser separation of isotopes.



Title: Modern Molecular Calculations

Lecturer(s): Dr B C Webster

Aims: The aims of the course are to introduce the computer based methods which are available for the ab-initio and semi-empirical calculation of molecular properties and to review and develop some of the concepts which were introduced in third year courses in quantum mechanics and bonding theory.

Objectives:

1. Appreciate the need for and the validity of approximate calculations and relate them to the approximations inherent in measurement.

2. Appreciate calculation strategies on large computers without becoming involved in the details of the programming.

3. Approach with a more critical attitude results obtained from the use of large established computer programs.

4. Describe the general structure of calculations of Hartree Fock/Self Consistent Field (HF/SCF) wavefunctions.

5. Describe the various approximations involved in HF/SCF calculations.

6. Describe what is meant by a minimal basis set and an extended basis set and describe various commonly used basis sets of Gaussian functions matched to Slater type orbitals: STO-3G, 3-21G, 3-21G(*), 6-21G, 6-31G*, 6-31G**.

7. Explain why the number of basis functions used in a calculation is limited by available computing time.

8. Describe how molecular geometry can be optimised.

9. Describe the effects of neglecting electron correlation.

10. Describe the general structure of calculations of configuration interaction (CI) calculations.

11. Describe the various approximations involved in CI calculations.

12. Explain the need to use limited CI methods to reduce computer time.

13. Describe the trade-off between accuracy of calculation and computing time and how this is related to molecular size.

14. Explain why ab-initio methods cannot at present be applied to very large molecules and the need for semi-empirical methods.

15. Describe the basis of the main types of semi-empirical methods: NDDO, INDO and CNDO including the main approximations made and the major variants.

16. Explain the value of parameterisation in semi-empirical methods.

17. Assess the likely accuracy of properties such as equilibrium geometries, vibrational frequencies, absolute entropies, barriers to internal rotation and inversion, electronic dipole moments and bond dissociation energies calculated using ab-initio and semi-empirical methods.

18. Describe the Born-Oppenheimer approximation and its effect.

19. Write the molecular Hamiltonian operator in atomic units within the Born-Oppenheimer approximation for any molecule.

20. State the requirements for a satisfactory electron wavefunction.

21. Describe the relationship of Slater-type orbitals and Gaussian-type atomic functions to hydrogenic wavefunctions.

Outline:

Revision of some quantum mechanical concepts. The HARTREE-FOCK-ROOTHAAN method. Basis sets. Strategies for solution of HFR equations. Electron correlation. Semi-empirical techniques.



Title: Chirality

Lecturer(s): Dr R D Peacock

Aims: The aims of the course are to provide an introduction to the occurrence and importance of chirality; to explain how chiral molecules may be detected, resolved or synthesised and to give an appreciation of circular dichroism spectroscopy and its use in determining the absolute configuration of chiral molecules.

Objectives:

1. Understand the basic definitions of chirality - enantiomer, diasterioisomer, racemate. Have an appreciation of the importance of chirality in the interaction of chiral molecules with natural systems such as man.

2. Appreciate the idea of a chromophore. Know the common types of chromophore and the transitions which they undergo.

3. Understand the concept of the polarisation of an electronic transition, of plane polarised light and of plane polarised absorption spectroscopy. Understand how the polarisation of a transition can be derived by multiplying the phase of the HOMO with that of the LUMO (or higher unoccupied molecular orbital).

4. Be able to use phase multiplication to determine the polarisations of the p -> p* transition of ethene and the d -> d* transition of the Mo2 chromophore and appreciate how the method can be used to determine the polarisation (long or short axis) of the transitions of polyacenes such as substituted benzenes, naphthalene and anthracene.

5. Understand how in the twisted Mo2 chromophore there is a transient helical charge distribution during the d -> d* transition and how this charge distribution interacts differently with left and right circularly polarised light leading to circular dichroism. Appreciate how the sense of twist of the chromophore (and hence the absolute configuration) is related to the sign of the CD spectrum.

6. Understand the concept of chirally coupled (organic) chromophores. Understand how the CD spectrum of such a system is related to the chirality of the molecule. Be able to determine the chirality of a pair of coupled chromophores from the sign of its CD spectrum.

7. Understand how enantiomers can interact in homochiral or heterochiral pairs of stacks. Appreciate the molecular basis of diastereomeric interactions ("three point model").

8. Know the common methods of resolving chiral molecules.

9. Be able to describe, and appreciate the molecular basis of, the various methods of detecting chiral molecules - chiral chromatography, chiral NMR reagents, chiral sensors.

10. Appreciate the molecular basis of asymmetric catalysis - particularly as applied to the examples given in lectures.


Outline:
General definitions of chirality etc.; chromophores; polarisation of electronic transitions; the alkene and dimolybdenum chromophores; twisted chromophores and circular dichroism; coupled chromophores - bianthryls etc, use in determining absolute configuration; diasteriomeric interactions; resolution of enantiomers; chiral GLC, chiral HPLC, chiral NMR shift reagents, chiral sensors; asymmetric catalysis.



Title: Solid State Chemistry : Materials and Microstructure

Lecturer(s): Dr D McComb

Aims: To further advance understanding of the inter-relationship between the structure and the properties of materials.

Objectives: At the end of the course students will have a knowledge of the following topics.

1. Point defects : relationship between defect concentration and defect energy.

2. Properties and applications of ionic conductors and solid electrolytes.

3. Dislocations and grain boundaries : their influence on mechanical properties.

4. Processing and applications of semiconductors.

5. An introduction to phase diagrams.

6. Properties and applications of ceramics and composite materials.

7. At the end of the course students should be able to describe the properties of a material in terms of the fundamental aspects of solid state chemistry.

Outlines:
Further development of the influence of point defects on the properties of materials. The thermodynamics of formation of point defects as well as the properties / applications of ionic conductors and solid electrolytes will be studied. The chemical view regarding the influence of extended defects (dislocations & grain boundaries) on the mechanical properties of materials will be developed. The processing and some applications of semiconductors will be reviewed. An introduction to the use and interpretation of phase diagrams will be given before investigating the properties and applications of ceramics and composite materials. Where possible, examples from recent research literature will be used to illustrate the increasing importance of structure-property relationships in modern solid-state chemistry.