Investigations on the Crystal and Vibrational Structures of Sym-Trifluorobenzene, Sym-Trideuterotrifluorobenzene and Hexafluorobenzene at Low Temperatures

Author: Bertolucci, Michael Dean

Year: 1973

Degree: Dissertation (Ph.D.)

Advisor: Robinson, G. Wilse

Committee Member: Unknown, Unknown

Option: Chemistry

DOI: 10.7907/gtz1-j092

Abstract

The investigations on the low temperature crystallographic and spectroscopic properties of sym-trifluorobenzene and hexafluorobenzene have been divided into three logical sections. The first section, headed by a paper submitted for publication in the Journal of Applied Crystallography, reports the established crystallographic parameters required for the theoretical interpretations in sections two and three. Section two consists entirely of two papers to be submitted to the Journal of Molecular Spectroscopy. They describe the vibrational structures of 1, 3, 5 C6F3H3, 1, 3, 5 C6F3D3 and C6F6. These papers establish for the first time complete vibrational assignments for these molecules in their vapor, liquid and crystalline phases. The last section, which is concluded by a paper to be submitted to Chemical Physics Letters, represents the culmination of efforts expended in the previous sections. Here, the partial analysis of the vibronic contributions observed in the vapor phase 1A'1 → 1A'2 transition in 1, 3, 5 C6F3D3 is used to verify previous unpublished work on the protonated isomer. These results form the basis from which the singlet-singlet absorption spectra of 1, 3, 5 C6F3H3 and 1, 3, 5 C6F3D3 at 4.2 °K were analyzed.

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