Bis-trifluoromethyl Effect: Doubled Transitions in the Rotational Spectra of Hexafluoroisobutene, (CF₃) ₂C=CH ₂

Author

Garry S. Grubbs, Missouri University of Science and TechnologyFollow
Stewart E. Novick
Wallace C. Pringle
Jaan Laane
Esther J. Ocola
Stephen A. Cooke

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.

Recommended Citation

G. S. Grubbs et al., "Bis-trifluoromethyl Effect: Doubled Transitions in the Rotational Spectra of Hexafluoroisobutene, (CF₃) ₂C=CH ₂," Journal of Physical Chemistry A, vol. 116, no. 31, pp. 8169 - 8175, American Chemical Society (ACS), Jan 2012.

The definitive version is available at https://doi.org/10.1021/jp305812z

Department(s)

Chemistry

International Standard Serial Number (ISSN)

1089-5639

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

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

Publication Date

01 Jan 2012