2/CH/AA
Advanced Analytical Chemistry
Unit description
The aims of this unit
CH402 To show students how to apply statistical methods rationally and correctly to a wide range of experimental data. To illustrate via worked examples which tests are appropriate to the various types of problem likely to be encountered in the laboratory.
CH502 To show students how computers may be used to facilitate our understanding of diverse areas of chemistry, including kinetics, atmospheric chemistry and drug design.
CH403 To provide students with a detailed knowledge and understanding of the main analytical techniques used in modern organic chemistry, and to give them experience in applying the techniques to solving analytical problems in organic chemistry.
CH503To introduce important analytical methods and techniques and give students an understanding of the principles, areas of application, and limits of each.
Learning outcomes
Students will acquire experience in solving problems at an appropriate level and experience in applying appropriate statistical techniques to experimental data and evaluating the results and gain knowledge of chemical computer modelling and be able to carry out relevant calculations on a range of topics in this field. Students will reinforce and extend their knowledge base in spectroscopic analysis in organic chemistry.
[The detailed summary of the content of this unit is given on page 2]
Term (s)Autumn, LentNumber of modules: 4
DepartmentChemistry
Pre-requisites1/CH/A1, 1/CH/A2, 2/CH/B, 2/CH/ACo-requisites: None
Excluded Units2/CH/DE
Required for2/CH/AA or 2/CH/DE required for BSc Chemistry and MChem
Modules: CH402, CH403, CH502, CH503
ConvenersProf L M Harwood (CH403), Prof D J Cardin (CH503)
Prof M G B Drew (CH402, 502)
Lecturers
CH402Prof M G B Drew (10), Dr J M Elliott
CH403Prof L M Harwood (9), Dr W Hayes (5), Prof A Gilbert (4), Dr F J Davis (2)
CH502Prof M G B Drew (3), Dr G Marston (2), Prof R Walsh (3), + Dr R J Hobson
CH503Dr C J Cardin (9)*, Dr S J Hibble (7), Dr M J Almond (4)
* Joint with 2EGC (unit 2/CH/G2 or G4)
TEACHING AND LEARNING METHODS
CH402Lectures 9 hrs, Practicals 24 hrs,Workshop 6 hrs
CH403Lectures 20 hrs, Workshops 5 1.5 hrs, Instrument Visits 3 hrs
CH502Lectures 10 hrs, Practicals 30 hrs, Tutorials 0 hrs
CH503Lectures 20 hrs, Workshops 4 3 hrs
ASSESSMENT:
CourseworkContinuous assessment of written work in
CH402, CH403, CH502 and CH503.Weight: 62.5%
ExaminationOne paper of 2 hours (Chemistry AA)Weight: 37.5%
Examination PeriodApril
Requirement for a PassAn overall mark of at least 40%
Re-assessmentSeptember (written examination only)
Feb-01
Module No. CH402Title: DATA HANDLING
Units taking this module: 2/CH/AA, 2/CH/DM, 2/CH/G4
Textbooks:J C Miller & J N Miller, Statistics for Analytical Chemistry, Ellis Horwood, 3rd ed.
paperback
Resources:PCs in Departmental Computing Room
Content:
Course Structure:
The course will consist of 9 lectures covering the basic ideas of data handling. There will be 3 associated hours of joint workshop sessions in which students will carry out a series of simple examples. In addition there will be up to 24 hours of Computer Practical in the theory discussed in the lectures will be applied. The course will be examined by continuous assessment and by an open-book test.
Course content:
Sampling, frequency distributions, means and medians, variances and standard deviations, normal distributions, standard errors, the t-distribution and t-table, confidence intervals, hypothesis tests, F tests for comparing variances, design and analysis of experiment, quality control, analysis of variance, linear regression analysis, multiple regression, non-parametric methods, quantitative structure-activity relationships.
Timetabled simultaneously with CH781.
Module No. CH502Title: CHEMICAL COMPUTER MODELLING
Units taking this module: 2/CH/AA, 2/CH/CM
Course Structure:
The course will consist of 8 lectures covering various aspects of physical chemistry. This will be associated with 18 hours of computer practical in which the material covered in the lectures will be put into practice. The course will be examined by continuous assessement.
Course Content:
Prof R Walsh – Chemical Kinetics
Fundamental concepts, treatment of competing reactions, principles of the computer model, application to gas phase reactions such as ozone degradation and thermal decomposition of methane.
Dr G Marston – Atmospheric Chemistry
Information about actinic fluxes and spectroscopic properties of key molecules will be provided to answer questions about atmospheric chemistry in a quantitative manner.
Prof M G B Drew – Molecular Modelling
Interactions between molecules and the method of molecular mechanics applied to organic molecules, conformational analysis and applications to drug design.
Module No. CH403Title: ADVANCED ANALYT CHEMISTRY - ORGANIC
Degree courses taking this module: Units 2/CH/AA, 2/CH/DE
Co-ordinator: Prof L M Harwood
Textbooks:
D H Williams and I Fleming, Spectroscopic Methods in Organic Chemistry, 5th Edition, (revised)
McGraw Hill.
L M Harwood & T Claridge, Introduction to Organic Spectroscopy, O.U.P
Content:
L M Harwood (9) - Nuclear Magnetic Resonance Spectroscopy
Revision of basic principles, pulse NMR, interpretation of proton NMR spectra (magnitude of coupling constants, spin decoupling, non-first order signals, spectra at higher magnetic fields, stereochemical effects), interpretation of carbon spectra (general characteristics, calculation of chemical-shift values), homonuclear correlation spectroscopy, and heteronuclear correlation spectroscopy. Rotating frame analysis applied to simple pulse sequences.
W C Hayes (5) - Kinetic Aspects
Electrophoresis and related topics. Survey of the range of chromatographic techniques available for the separation, purification and analysis of proteins, macromolecules and polymers.
A Gilbert (4) - Mass Spectrometry
Revision of ionization techniques (EI,CI), methods for ionization of involatile compounds, interfacing chromatographic instrumentation with a mass spectrometer.
F J Davis (2) - Electron Spin Resonance Spectroscopy
Discussion of instrumental methods in terms of data extraction (double integration, computer simulation of spectra), methods of in situ generation of organic radicals (flow systems, photochemical and electrochemical techniques), spin trapping.
Module No.CH503 Title: ADVANCED ANALYT CHEMISTRY- INORGANIC
Degree courses taking this module: Sub. Analytical Chemistry
Textbooks:L E Smart & E A Moore, Solid State Chemistry, Chapman & Hall, 2nd Ed., 1995
Content:
C J Cardin (9)
Structures of the crystalline elements, crystal systems, point groups, translational symmetry, Bravais lattices. Packing, Miller indices, fractional coordinates. Relationship to density. Model building using solid models. Fundamentals of diffraction by simple lattices - atomic scattering factors, structure factors, systematic absences. The characterisation of inorganic crystalline solids by diffraction methods - interpretation of powder and single crystal diffraction data. Introduction to complete structure determination.
S J Hibble (7)
Photoelectron spectroscopy. Information on bonding from UV photoelectron data. X-ray photoelectron spectroscopy, and its use in chemical analysis. NMR spectroscopy with nuclei other than C & H.
M J Almond (4)
Raman spectroscopy. Basic theory, contrast with IR spectroscopy. Experimental techniques; special problems. Fourier transform methods. Brief coverage of Raman microscopy.
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