A spectroscopic study of some free radicals (1971)
Type of ContentTheses / Dissertations
Degree NameDoctor of Philosophy
PublisherUniversity of Canterbury. Chemistry
AuthorsPeake, B. M.show all
A spectroscopic study of the radical ions of two series of alkyl substituted naphthalene compounds has been made using ESR techniques. The temperature dependence of the spectra of these species was theoretically simulated and was found to be markedly dependent upon the size and shape of the aliphatic substituents. In some cases chair and boat forms of the molecule could be resolved at low temperatures and the activation energy for the interconversion between these forms was calculated from spectra. Ion pairing effects were observed in certain solvents and predictions regarding the possible structure of these species were made. Simple Euckel and its modifications and Semi-Empirical SCF MO theory have been used to calculate spin densities and the relation of these to observed hyperfind coupling constants was discussed.