Chemical bonding in the boron buckyball

被引：52

作者：

Ceulemans, Arnout ^{[1
]}

Muya, Jules Tshishimbi

Gopakumar, G.

Nguyen, Minh Tho

机构：

[1] Univ Louvain, Dept Chem, B-3001 Louvain, Belgium

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 461卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2008.07.020

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：

A symmetry analysis of the valence shell in the boron buckyball B(80) shows a perfect match with the symmetry of the valence shell in C(60). The cap atoms participate in the bonding by 30 orbitals which transform as the sigma-bonds along the 6-6 edges. Far reaching consequences for chemical and physical properties of B(80), which until now only exists in silico, are expected. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：226 / 228

页数：3

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