Correlations of 13C-H Coupling Constants JC-H and Bond Angles and Bond Force Angles in Strained Organic Molecules

Cun Yuan Zhao, Wen Shan Duan, Yong Zhang, Xiao Zeng You

Research output: Contribution to journalArticlepeer-review

Abstract

The incorporation of the sum of interatomic angle distortion ΣΔθ, the sum of bond force angle distortion ΣΔβ, the C-C-C bond angle θccc and the s-character of C-H bonds has improved the prediction of 13C-H coupling constants, JCH. of strained organic molecules to average deviations of less than 2.0 Hz from experimental values.

Original languageEnglish
Pages (from-to)156-157
Number of pages2
JournalJournal of Chemical Research - Part S
Issue number3
DOIs
StatePublished - 1998

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