Department of Chemistry, Unit Catalogue 2011/12 |
|
 Credits:
| 6 |
| Level:
| Masters UG & PG (FHEQ level 7) |
| Period: |
Semester 1 |
| Assessment:
| CW 70%, OT 30% |
| Supplementary Assessment: | Like-for-like reassessment (where allowed by programme regulations) |
| Requisites:
| |
| 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. Skills: Data handling and analysis (T, F, A); Problem solving (T, F, A); Independent working (F); Oral communication (F): poster presentation (F). Content: 12 lectures on the techniques. 'Hands on' training and directed reading. |
| Programme availability: |
CH50100 is Compulsory on the following programmes:Department of Chemistry
|