Date of Award

Summer 1980

Degree Type

Thesis - Restricted

Degree Name

Master of Science (MS)

Department

Chemistry

First Advisor

Haworth, Daniel T.

Second Advisor

Steinmetz, Mark

Abstract

The topic of this thesis concerns the study of the ligand exchange mechanism bf the labile aluminum(III) and gallium(III) tris(trifluoroacetylacetonato) complexes. These molecules undergo a ligand exchange process which can be observed with the use of variable temperature proton nuclear magnetic resonance spectroscopy (NMR). Fay and Piper(3) have reported the fluorine-19 NMR spectra of these complexes and by the use of approximate methods they have calculated various kinetic parameters. Their experimental data indicate that the mechanism of exchange could process. In this thesis a more exact treatment of this exchange phenomenum has been undertaken. The exchange-broadened proton NMR spectra are calculated with the aide of DNMR3, a dynamic nuclear magnetic resonance simulation program(l). By use of the line-shape method of analysis(22) the rate constants for the ligand exchange process are determined. This method involves the fitting of computer simulated exchange-broadened spectra to the experimental spectra. Kinetic parameters which are calculated utilizing exchange constants determined via computer simulation are used to elucidate the mechanism of ligand exchange.

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