Strained ring carbonyl force constants from molecular orbital calculations |
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| Authors: | N.B. Colthup M.K. Orloff |
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| Affiliation: | American Cyanamid Company, Chemical Research Division, Stamford, Connecticut, USA |
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| Abstract: | Molecular orbital theory is used to evaluate the carbonyl force constants in several compounds. The carbonyl force constants kCO are found to be essentially unchanged in the series: acetone, cyclopentanone, and cyclobutanone; however, the value of kCO is calculated to be 5% higher in the case of cyclopropanone. |
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