Journal of Molecular Structure

Infrared and Raman spectra, conformational stability, vibration assignment, and ab initio calculations for 3-bromo-3, 3-difluoropropene

S Shen, GA Guirgis, J Gao, JR Durig

Index: Shen, Shiyu; Guirgis, Gamil A.; Gao, Jian; Durig, James R. Journal of Molecular Structure, 2001 , vol. 598, # 2-3 p. 213 - 227

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Abstract

The infrared spectra (3200–50cm− 1) of gaseous and solid and Raman spectra (3200– 10cm− 1) of the liquid with qualitative depolarization ratios and solid 3-bromo-3, 3- difluoropropene CH2 CHCBrF2 have been recorded. Both the gauche and cis conformers have been identified in the fluid phase, but the gauche conformer is thermodynamically more stable than the cis rotamer and it is the only rotamer present in the spectrum of the ...