Structural and Stereochemical Applications of Computational NMR Using Si-29-H-1 and Se-77-H-1 Indirect Spin-Spin Coupling Constants

被引：19
|
作者：
Krivdin, Leonid B. [1 ]
Rusakov, Yury Yu. [1 ]
机构：
[1] Russian Acad Sci, AE Favorsky Irkutsk Inst Chem, Siberian Branch, Irkutsk, Russia
来源：
EMAGRES | 2014年 / 3卷 / 01期
关键词：
Si-29-H-1 and Se-77-H-1 spin-spin coupling constants; computational NMR; stereochemistry; conformational analysis; SOPPA; silanes; selenides;
D O I：
10.1002/9780470034590.emrstm1361
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
This article concentrates on the authors' original results dealing with the structural and stereochemical applications of the SOPPA calculations of Si-29-H-1 and Se-77-H-1 spin-spin coupling constants in organic derivatives of silicon and selenium. Marked stereochemical behavior of the subject coupling constants is rationalized in terms of a classical Karplus-type dihedral angle dependence and the selenium orientational lone-pair effect.
引用
收藏
页码：87 / 109
页数：23
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