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The structural dependence of vicinal 13C13C coupling constants in s-cis-butane and cis-butane

✍ Scribed by Martin Klessinger; Jung-Hyuck Cho

Publisher
John Wiley and Sons
Year
1983
Tongue
English
Weight
193 KB
Volume
21
Category
Article
ISSN
0749-1581

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✦ Synopsis

The dependence of three-bond "GUC couplings of cis-butane and cis-butene on the valence angle, the torsional angle of the methyl groups and methyl and methylene substituents is discussed on the basis of INDO-SCPT calculations. The results support the interpretation of the experimental couplings between the bridgehead carbons of bicyclic hydrocarbons based on a multiple-path mechanism. l a l b

In Fig. 1, the 'J(CC) coupling constants calculated for 1 and 2 in two different conformations, with the

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