Bis-trifluoromethyl effect: doubled transitions in the rotational spectra of hexafluoroisobutene, (CF3)2CCH2. Academic Article uri icon


  • Rotational spectra for hexafluoroisobutene, and its (13)C 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.

published proceedings

  • J Phys Chem A

author list (cited authors)

  • Grubbs, G. S., Novick, S. E., Pringle, W. C., Laane, J., Ocola, E. J., & Cooke, S. A.

citation count

  • 6

complete list of authors

  • Grubbs, GS||Novick, Stewart E||Pringle, Wallace C||Laane, Jaan||Ocola, Esther J||Cooke, SA

publication date

  • August 2012