Title

Synthesis and Vibrational Spectrosc Opy of 1,1,2,2-Tetrafluoroethane and its 13C2 and d2 Isotopomers

Abstract

The 13C2 and d2 isotopomers of 1,1,2,2-tetrafluoroethane (TFEA) have been synthesized. Raman spectra of these new species have been recorded, and infrared spectra of all three isotopomers, including some regions with high-resolution at −100 °C, have also been recorded. Guided by recently published calculations of frequencies and infrared intensities and the new spectra, we have revised the previous assignments of fundamentals for the two rotamers of the normal species of TFEA. Assignments of the fundamentals for both rotamers of the 13C2 and d2 isotopomers are proposed. The anti rotamer is the more abundant species in the gas phase and, to a lesser extent, in the liquid phase and the only species in the crystal phase. Thus, the assignments of the anti rotamer of all three isotopic species are complete and supported by isotope product rules, but the assignments for the gauche rotamers are incomplete. Estimates of the missing frequencies for the gauche rotamer of the normal species are supplied.

Publisher

American Chemical Society

Publication Date

1-1-2000

Publication Title

Journal of Physical Chemistry A

Department

Chemistry and Biochemistry

Document Type

Article

DOI

10.1021/jp0004967

Language

English

Format

text

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