Concerning a relationship between long-range ring proton - methyl proton coupling constants and mobile bond order

Long-range proton - methyl proton coupling constants in propene, mesitylene, 9-methylphenanthrene, and acenaphthene appear to be linearly related to the square of the mobile bond order between the carbon atoms bonded to the methyl group and the proton. However, substituent-induced changes in the cha...

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Bibliographic Details
Published in:Canadian journal of chemistry 1968-02, Vol.46 (4), p.654-656
Main Authors: Blears, D. J, Danyluk, S. S, Schaefer, T
Format: Article
Language:English
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Summary:Long-range proton - methyl proton coupling constants in propene, mesitylene, 9-methylphenanthrene, and acenaphthene appear to be linearly related to the square of the mobile bond order between the carbon atoms bonded to the methyl group and the proton. However, substituent-induced changes in the charge on and hybridization state of the carbon atoms, in excitation parameters and in potential barriers to rotation of the methyl group, may also affect the coupling. Such changes must be considered in the application of a possible linear relationship.
ISSN:0008-4042
1480-3291
DOI:10.1139/v68-106