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Generalized relationship for calculation of nuclear spin—spin coupling constants between directly bonded carbon and hydrogen atoms

✍ Scribed by Chang-Guo Zhan; Zhen-Min Hu


Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
299 KB
Volume
32
Category
Article
ISSN
0749-1581

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✦ Synopsis


Abstract

A generalized relationship to describe bond coupling constants is introduced. This expression includes the contributions for hybrid orbitals and the net atomic charges. The resulting expression provides an excellent description of directly bonded CH coupling constants. This equation is suitable both for hydrocarbons and for molecules with __I__^+^ and __I__^−^ substituents.