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Spectroscopic methods (CH2203)

Aims

To provide both theoretical and practical understanding of the principles and application of a number of spectroscopic methods to the identification of chemical compounds.

General description

This module links theory with practice in providing a fundamental understanding of the principles and use of spectroscopic methods for the identification of chemical substances. Practical work develops hands-on data analysis skills and draws together many different spectroscopic and spectrometric techniques, including IR, Raman and 1H and 13C NMR, mass spectroscopy and UV for the identification of unknown substances in synthetic chemistry. Different methods and the information that can be gained from each are analysed and evaluated to provide a broad overview of basic spectroscopic methods and experimental techniques.

Syllabus content

Ultraviolet - chromophores, lmax and e, Woodward-Fieser rules for dienes and enones, interpretation of spectra. relationship to d-d and charge transfer transitions in transition metal complexes.

Infrared and Raman spectroscopies. Basis. Use as fingerprint and identification of major groups using correlation tables. Characteristic frequencies, terminal and bridging ligands, relationship to bonding models.

NMR - chemical shifts (1H and 13C), integrals, coupling patterns and coupling constants and their use, interpretation and prediction of spectra. Introduction to multinuclear NMR. Spin half nuclei, abundances, sensitivities, operating frequencies, Fermi contact, coupling, satellites. Quadrupolar nuclei, coupling patterns.

Mass Spectrometry - use of EI and CI spectra, important fragmentation processes.

Practical work :

Interpretation of spectroscopic information, especially NMR, IR and mass spectra, as applied to organic and inorganic compounds.