卤代甲烷系列谱学性质与结构关系的研究

波谱学杂志 ›› 1990, Vol. 7 ›› Issue (1): 109-114.

卤代甲烷系列谱学性质与结构关系的研究

胡振明¹, 刘范²

1. 湖北师范学院化学系, 湖北黄石市;
2. 华中师范大学化学系, 武汉

收稿日期:1988-12-30 修回日期:1989-02-04 出版日期:1990-03-05 发布日期:2018-01-23

STUDIES ON THE RELATIONSHIP BETWEEN THE SPECTRAL PROPERTIES AND MOLECULAR STRUCTURE IN THE HALOMETHANES

Hu Zhenmin¹, Liu Fan²

1. Department of Chemistry, Hubei Normal University, Huangshi;
2. Department of Chemistry, Central China Normal University, Wuhan

Received:1988-12-30 Revised:1989-02-04 Online:1990-03-05 Published:2018-01-23

摘要/Abstract

摘要： 本文借助最大重迭杂化轨道理论研究了卤代甲烷系列分子的NMR自旋-自旋偶合常数和核四极偶合常数与结构的关系。较明确地反映了化学键性质和取代基对分子谱学性质的影响。

关键词: 最大重迭方法, 轨道成份, 自旋-自旋偶合常数, 核四极偶合常数

Abstract: The maximum overlap method was used to study the relationship between the spectral properties and molecular structure in the halomethanes. Based on the theoretical analysis and comparative studies, the excellent linear relationship between the s-character of carbon in carbon-hydrogen bond and the NMR spin-spin coupling constants, nuclear quadrupole coupling constants were obtained. The results are in good agreement with the experimental values.

Key words: Maximum overlap method, Orbital characters, NMR spin-spin coupling constants, Nuclear quadrupole coupling constants

胡振明, 刘范. 卤代甲烷系列谱学性质与结构关系的研究[J]. 波谱学杂志, 1990, 7(1): 109-114.

Hu Zhenmin, Liu Fan. STUDIES ON THE RELATIONSHIP BETWEEN THE SPECTRAL PROPERTIES AND MOLECULAR STRUCTURE IN THE HALOMETHANES[J]. Chinese Journal of Magnetic Resonance, 1990, 7(1): 109-114.

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