The vibrational analysis of cyclopentanone

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1139/v73-263
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  1. National Research Council Canada
FormatText
TypeArticle
Journal titleCanadian Journal of Chemistry
ISSN0008-4042
1480-3291
Volume51
Issue11
Pages1749–1766
Abstract
The infrared and Raman spectra of cyclopentanone, ααα′α′-d₄-cyclopentanone, βββ′β′-d₄-cyclopentanone and d₈-cyclopentanone have been measured and a normal co-ordinate analysis performed based on a twisted C₂ conformation. The 36 normal vibrations were computed using a selective valence force field comprising 16 diagonal and 16 off-diagonal force constants. The 4 isotopic species provided 144 frequencies to refine 15 diagonal force constants. The initial values of the constants were transferred from a force field for cyclohexanone computed in this laboratory. The infrared and Raman spectra were analyzed in terms of the potential energy distribution coefficients categorized as group frequencies, zone frequencies, and delocalized frequencies.
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LanguageEnglish
Peer reviewedYes
NRC number13046
NPARC number23001407
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