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

Citation

Bertolucci, Michael Dean (1973) Investigations on the Crystal and Vibrational Structures of Sym-Trifluorobenzene, Sym-Trideuterotrifluorobenzene and Hexafluorobenzene at Low Temperatures. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/gtz1-j092. https://resolver.caltech.edu/CaltechTHESIS:11122019-112405134

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vibronic contributions observed in the vapor phase ¹A'₁ → ¹A'₂ transition in 1, 3, 5 C₆F₃D₃ is used to verify previous unpublished work on the protonated isomer.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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