Typescript. / Thesis (Ph. D.)--University of Hawaii, 1969. / Bibliography: leaves 129-137. / ix, 137 l illus

This thesis reports the spectroscopic and computational studies of a number of Cu(I), Re(I) and Ru(II) complexes of polypyridyl ligands. The ligands considered in this study were 1,10-phenanthroline, 4,7-diphenyl-1,10-phenanthroline, 3,4,7,8-tetramethyl-1,10-phenanthroline, dibenzo[b,j][1,10]phenanthroline, dipyrido[2,3-a:3�,2�-c]phenazine, dipyrido[2,3-a:3�,2�-c]-6,7-dichlorophenazine and dipyrido[2,3-a:3�,2�-c]-6,7-dimethylphenazine. Density functional theory calculations were carried out on the polypyridyl ligands. Validation of the calculations was carried out by comparison of the predicted values to observables. The structures were compared to previously published X-ray crystal data. Calculated bond lengths were typically calculated to be within 0.02 Å of those in the crystal structure. The calculated vibrational spectra were compared to measured IR and Raman spectra. The correspondence between calculated and measured frequencies was quantified using the mean absolute deviation between the two sets of frequencies. This was typically found to be less than 10 cm⁻�. The robustness of the calculation was further tested by calculations on perdeuterated analogues of some of the ligands. The calculations were extended to metal moieties and validated as for the ligands. Resonance Raman and infrared spectra of the reduced states of some Re(I) complexes are reported. The structure and spectra have been modelled by considering the radical anion of the polypyridyl ligand and the reduced state of the complex. There is improvement in the mean absolute deviation, between calculated and observed frequencies, upon incorporation of the metal moiety into the calculation. Spectra are successfully modelled confirming the validity of the modelled structures. The resonance Raman and infrared spectra of the metal-to-ligand charge transfer excited states of some Cu(I), Re(I) and Ru(II) complexes are reported. Density functional theory calculations on the lowest energy triplet states aided in the spectral assignment of bands. Cu(I) complexes were successfully modelled with mean absolute deviations, between calculated and observed frequencies, of less than 10 cm⁻�. The spectra of the Re(I) and Ru(II) complexes were less successfully modelled. Incorporation of the Ru(II) centre into the calculation of the vibrational frequencies of dipyrido[2,3-a:3�,2�-c]phenazine complexes offers no improvement over modelling the radical anion of this polypyridyl ligand. The excited state lifetimes of a number of polypyridyl complexes have been reported. The changes in lifetimes of similar complexes were found to be consistent with the energy gap law or changes in the conjugation of the involved polypyridyl ligand. This project has allowed the excited state structures of a number of polypyridyl complexes to be determined using vibrational spectroscopy to validate density functional theory calculations. This has provided a study strategy that may be applied to other metal polypyridyl complexes.

Copy of author's previously published article inserted. / Includes bibliographies / vi, 230 leaves : ill. (some col.) ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / This thesis studies the B-cyclodextrins which are modified at the primary rim to incorporate an additional coordination or hydrophobic recognition site. The natural organic host, cyclodextrin and its chemically modified derivatives, are utilised as hosts for the inclusion of a range of guests. The study contributes to understanding the fundamental factors influencing selectivity of binding and the stability of the complexes formed when a guest is bound essentially at two recognition sites. / Thesis (Ph.D.)--University of Adelaide, Dept. of Chemistry, 1996

Includes a list of publications by the author arising from this thesis. / Bibliography: leaves 174-176. / 178 leaves : ill. ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Studies the reactivity of metal alkynyl fragments, in particular the formation of compounds containing two or more alkynes, resulting in the preparation of complexes with interesting properties and reactivities. / Thesis (Ph.D.)--Adelaide University, Dept. of Chemistry, 2001

Summary in end pocket / iv, 176 leaves : diags., graphs ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.)--University of Adelaide, Dept. of Physical and Inorganic Chemistry, 1978

Typescript (photocopy) / 277 leaves : ill. ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.) Dept. of Physical and Inorganic Chemistry, University of Adelaide, 1982

Includes a list of publications by the author arising from this thesis. / Bibliography: leaves 174-176. / 178 leaves : ill. ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Studies the reactivity of metal alkynyl fragments, in particular the formation of compounds containing two or more alkynes, resulting in the preparation of complexes with interesting properties and reactivities. / Thesis (Ph.D.)--Adelaide University, Dept. of Chemistry, 2001

Typescript (photocopy) / 277 leaves : ill. ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.) Dept. of Physical and Inorganic Chemistry, University of Adelaide, 1982

Typescript (photocopy) / x, 110 leaves : ill. ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.)--University of Adelaide, Dept. of Physical and Inorganic Chemistry, 1983

Thesis (M.S.)--Rochester Institute of Technology. / Includes bibliographical references (leaf 131).