Journal of molecular structure

Conformational stability, barriers to internal rotation, vibrational assignment, structural parameters, and ab initio calculations of oxalyl chlorofluoride

JR Durig, GA Guirgis, I Badejo, JF Davis

Index: Durig, J. R.; Guirgis, Gamil A.; Badejo, Ibraheem; Davis, J. F. Journal of Molecular Structure, 1995 , vol. 354, p. 15 - 28

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Citation Number: 6

Abstract

The Raman spectra 2000-10 cm− 1 of gaseous, liquid and solid oxalyl chlorofluoride, CFOCClO, have been recorded. The infrared spectra (2000-20 cm− 1) of the gas and solid have also been recorded. These data have been interpreted on the basis of an equilibrium between the trans (fluorine atom is oriented trans to the chlorine atom) and cis conformers in the fluid phases, with the trans rotamer being the more stable form. A variable-temperature ...