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Calculation of gauche coupling constants from substituent electronegativities

✍ Scribed by T. P. Forrest

Publisher: John Wiley and Sons
Year: 1974
Tongue: English
Weight: 260 KB
Volume: 6
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1270060611

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✦ Synopsis

Abstract

The calculation of gauche coupling constants from substituent electronegativities by a method which takes into account the orientation of the substituents is described. This correlation has been derived from the coupling constants of disubstituted ethanes and has been applied to the calculation of coupling constants in cyclohexanes and 6‐membered heterocycles. The detection of angular distortion in 6‐membered rings from the difference between calculated and observed coupling constants is also described.

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