THE REMARKABLE STABILITY OF THE LIBH2 AND HBEBH2 DIMERS - B=B DOUBLE-BOND OR MULTICENTER BONDS

被引：8
作者：
KAR, T
JUG, K
机构：
[1] Theoretische Chemie, Universität Hannover, W-3000 Hannover 1
来源：
CHEMICAL PHYSICS LETTERS | 1993年 / 214卷 / 06期
关键词：
D O I：
10.1016/0009-2614(93)85692-H
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 structure and stability of LiBH2 and HBeBH2 dimers are investigated using ab initio calculations with suitable basis sets. It is concluded that the previous explanation of the B=B double bond cannot be supported and that multi-center bonding is responsible for the structure of such systems.
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页码：615 / 620
页数：6
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