Investigations of electronic interactions between closo-boranes and triple-bonded substituents

被引：46

作者：

Kaszynski, P

Pakhomov, S

Young, VG

机构：

[1] Vanderbilt Univ, Dept Chem, Organ Mat Res Grp, Nashville, TN 37235 USA

[2] Univ Minnesota, Dept Chem, Xray Crystallog Lab, Twin Cities, MN 55455 USA

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 2002年 / 67卷 / 07期

关键词：

carboranes; boranes; structure elucidation; ab initio calculations; pi interactions; electron transmission; X-ray diffraction; substituent effects;

D O I：

10.1135/cccc20021061

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Intramolecular electronic interactions were investigated in five series of 12-, 10-, and 6-vertex closo-boranes and hydrocarbons (benzene, acetylene, bicyclo[2.2.2] octane, and cubane) substituted with triple-bonded groups Y=Z (C=CR, C=N, C=O, and N=N). Structural data (single crystal X-ray crystallography), spectroscopic properties (UV, IR, and NMR), chemical behavior (dediazoniation reactions), and electronic structure calculations (hybridization and bond order) are all in agreement that the degree of electronic conjugation between the cluster and the Y=Z substituent is lowest for the 12-vertex closo-borane and highest for the 6-vertex analog.

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收藏

页码：1061 / 1083

页数：23

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