Russian Chemical Bulletin
Volume 40, Number 3, 503-510, DOI: 10.1007/BF00957984

Physical Chemistry

Study of the nature of the long-range effect of the lone pair of the heteroatom on the direct13C-1H spin-spin coupling constants in N-vinyl derivatives of heterocycles by the AM-1 method

A. V. Afonin, A. V. Vashchenko and D. K. Danovich

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Abstract

The main reason for the increase in a direct13C-1H spin-spin coupling constant upon the spatial approach of the respective hydrogen atom and a heteroatom separated by several bonds is the increase in the s order of the C-H bond. The length of the C-H bond, however, remains practically unchanged.
Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 3, pp. 582–589, March, 1991.

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