VOLUME CONJUGATION IN ELECTRON-DEFICIENT POLYHEDRAL MOLECULES

被引：8

作者：

GRIBOV, LA

KLIMOVA, TP

RAICHSTATT, MM

机构：

[1] Vernadsky Institute of Geochemistry and Analytical Chemistry, Academy of Sciences, the U.S.S.R., Moscow

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1979年 / 56卷 / 01期

关键词：

D O I：

10.1016/0022-2860(79)80144-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The character of the chemical bond in electron-deficient polyhedral molecules (such as the isomers of dicarbaclosododecaborane and the dodecaborane dianion) has been investigated on the basis of a detailed analysis of the distribution of valence electron density over molecular space. The main electron charge is shown to reside within the sphere inscribed in the polyhedron limited by the network atoms. A significant proportion of the electron density is found at the centre of this sphere. It is concluded that the network atoms are maintained in position by the attraction of the spatial charge distributed within the sphere. All the valence electrons contribute to this distribution, and the new concept of volume conjugation is proposed to characterize this unusual type of bond. © 1979.

引用

页码：125 / 138

页数：14