Title

Bis-trifluoromethyl Effect: Doubled Transitions in the Rotational Spectra of Hexafluoroisobutene, (CF 3) 2C=CH 2

Abstract

Rotational spectra for hexafluoroisobutene, and its 13C isotopologues, have been recorded between 8 and 16 GHz using a chirped pulse, Fourier transform microwave spectrometer. Notably, all spectra observed are doubled with separations between the doublets being between 1 and 60 MHz. We propose that the bis-trifluoromethyl groups of the target molecule are staggered in the equilibrium configuration, and that a novel, out-of-phase rotation through a F-CCC-F planar configuration with low barrier (<100 cm -1), leads to the observed doubled rotational spectra.

Department(s)

Chemistry

International Standard Serial Number (ISSN)

10895639

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2012 American Chemical Society (ACS), All rights reserved.


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