Abstract
The vibrational potential functions of oxalyl halides (COX) 2 (X = Cl, Br, or F) and C 2O 2XY (X = Cl, Y = F) have been derived from literature values of the experimental frequencies. Internal coordinates used in the force field evaluations have demonstrated small changes in the force constant values related to the common C 2O 2 framework. In xenon and argon matrices, the oxalyl chloride IR spectra show multiplets, associated with natural abundance isotopic shifts and site effects, in agreement with calculated isotopic values. Numerous combination tones have been observed and identified; several are evidently perturbed by strong Fermi resonance.
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