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Vibrational analysis and ring-puckering inversion barrier of perfluorocyclopentene

Fischer, Gad; Cao, Xiaolin


Perfluorocyclopentene, like cyclopentene, is expected to have a nonplanar structure with a low barrier to inversion. However, in contrast to cyclopentene, no cluster of bands that could be assigned to the ringpuckering vibration has been reported in the infrared and Raman spectra. To address this problem, ab initio molecular orbital calculations have been carried out to determine the structure and harmonic vibrational frequencies of the puckered molecule (Cs), and the molecule constrained to...[Show more]

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
Source: Journal of Physical Chemistry A


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