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The calculation of 2J(HH) couplings in benzyl groups

✍ Scribed by R. J. Abraham; J. M. Bakke

Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
186 KB
Volume
11
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The results of FPT/INDO theory together with the observed ^2^J(HH) coupling in benzyl groups (Ph · CH~2~X) leads to a simple equation ^2^J(HH) = A+B cos θ+C cos 2θ where θ is the C.C.C.X dihedral angle, and X = C,H. The extension to other X substituents can be obtained from additivity rules.

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