Doctoral Dissertations

Date of Award

12-1990

Degree Type

Dissertation

Degree Name

Doctor of Philosophy

Major

Chemistry

Major Professor

T. Ffrancon Williams

Abstract

The work completed in this thesis is summarized as follows. Theoretical Work: (1) a spin Hamiltonian suitable for interpretations and theoretical analyses of ESR spectra in this work is derived by using the general effective Hamiltonian theory in the usual Schrodinger representation, (2) the Permutation Indices method is extended to obtain the dynamic exchange equations used in ESR lineshape simulation, ( 3) the correlation between ,8-hydrogen coupling constants and their geometric orientations is derived through the use of a perturbation method, (4) the three electron bond model is extended to rationalize unimolecular rearrangements of radical cations.

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