Title: Ab initio molecular orbital calculations on acetyl cations. Relative hyperconjugative abilities of C-X bonds
Abstract: Ab initio molecular orbital calculations have been carried out for the substituted acetyl cations RCO+ (R = CH3, CH3CH2, (CH3)2CH, (CH3)3C) and XCH2CO+ (X = CH3CH2, CH2=CH,CH=C, C=N, OH, F). The stabilities of the ions RCO+ are found to follow the normal inductive order of the substituents R. The calculations suggest that C-C hyper-conjugation is more effective than C-H hyper-conjugation.
Publication Year: 1974
Publication Date: 1974-01-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 14
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