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The theory and practice of resonance Raman spectroscopy

Oprescu, Dan; (1996) The theory and practice of resonance Raman spectroscopy. Doctoral thesis (Ph.D), UCL (University College London). Green open access

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Abstract

The thesis proposes a new method of obtaining molecular structural data from resonance Raman spectroscopy: the experimental, theoretical and numerical aspects of the method are presented, and some of the results are included. The first chapter describes Raman and resonance Raman scattering and introduces the instrumentation, methods and procedures used in obtaining Raman data. The sources of error in measuring band intensities and excitation profiles are analysed, and corrections to the errors are proposed. Some original experimental results are presented in Appendix 2 for the purpose of illustrating the technique and the sources of errors. Chapter 2 describes an advanced theoretical model of secondary radiation, and its interpretation in terms of Raman and fluorescence radiation; in Chapter 3 the model is applied to relating resonance Raman data to molecular structure, by using the physical assumptions of the model and the corresponding mathematical approximations. The result is a set of equations relating microscopic parameters describing the molecular structure to the macroscopic quantities to be measured experimentally. A new mathematical procedure for solving the equation set obtained at the end of Chapter 3 is proposed in Chapter 4; the numerical and computational implementation are described in this chapter and the computer programs used in practical applications are presented in appendices 4 and 5. The results of applying the new method are presented in Chapter 5 in the form of tables containing the calculated parameters and of graphs comparing the experimental and the simulated excitation profiles; chemical systems belonging to three different geometries have been investigated.

Type: Thesis (Doctoral)
Qualification: Ph.D
Title: The theory and practice of resonance Raman spectroscopy
Open access status: An open access version is available from UCL Discovery
Language: English
Additional information: Thesis digitised by ProQuest.
Keywords: Pure sciences; Raman spectroscopy
URI: https://discovery.ucl.ac.uk/id/eprint/10097503
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