J. Durig, S. E. Hannum
Jun 15, 1970
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0
Influential Citations
49
Citations
Journal
Journal of Chemical Physics
Abstract
The vibrational spectrum of oxalyl chloride, [COCl]2, has been recorded between 33 and 4000 cm−1. The infrared spectra of the oxalyl chloride molecule have been examined in the solid, liquid, and gaseous states. The Raman spectra of the solid and liquid have also been observed, and qualitative depolarization ratios have been measured. The vibrational spectrum of the crystalline material has been interpreted on the basis of C2h molecular symmetry and D2h15 space group symmetry. All 12 of the normal vibrations have been assigned, and the barrier to internal rotation around the C–C bond has been obtained. Nine bands appear in the infrared and Raman spectra of the liquid/gaseous states which do not appear in the spectra of the solid. In light of depolarization data and the frequencies for the vibrations of the trans isomer, these bands are interpreted as arising from a cis rotamer. A temperature study was made in order to determine the relative stability of the rotamers. The trans isomer was found to be 2.2 k...