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Department of Chemistry, Unit Catalogue 2011/12

CH50100: Postgraduate training module

Click here for further information Credits: 6
Click here for further information Level: Masters UG & PG (FHEQ level 7)
Click here for further information Period: Semester 1
Click here for further information Assessment: CW 70%, OT 30%
Click here for further information Supplementary Assessment: Like-for-like reassessment (where allowed by programme regulations)
Click here for further information Requisites:
Click here for further information Description: Aims:
The unit will provide training in four important techniques - X-ray crystallography, mass spectrometry and NMR spectroscopy and DFT calculations - that are essential to the modern research chemist.

Learning Outcomes:
After completing this unit, students should:
* have gained a basic understanding of crystallographic detail as reported in primary literature.
* be familiar with CIF and RES file formats.
* be competent with crystallographic display software that enables calculation of derived structural parameters from structural data files.
* be able to generate publication quality molecular and lattice packing plots for crystal structures.
* understand the importance of mass spectrometry as an analytical tool, along with an appreciation of the application areas where it is used.
* be able to explain the basic operation mechanisms of several modern mass spectrometric analysers
* be able to interpret a basic mass spectrum in positive and negative mode, including simple fragmentation patterns.
* understand the principles of how pulsed NMR works, using the vector model.
* understand common problems encountered in the day-to-day acquisition and processing of NMR spectra, how to solve them, and therefore how to achieve more satisfactory results.
* have a knowledge of advanced NMR methods, with a focus on recently developed techniques.
* understand the basis of DFT calculations.
* be able to use the program ORCA to calculate molecular parameters.
* present a talk focusing on the uses of one of these techniques.
* communicate an understanding of the techniques to someone with the background understanding of a sixth form student.

Data handling and analysis (T, F, A); Problem solving (T, F, A); Independent working (F); Oral communication (F): poster presentation (F).

12 lectures on the techniques. 'Hands on' training and directed reading.
Click here for further informationProgramme availability:

CH50100 is Compulsory on the following programmes:

Department of Chemistry
NB. Programmes and units are subject to change at any time, in accordance with normal University procedures.