BONDING CAPABILITIES OF TRANSITION-METAL CLUSTERS .2. RELATIONSHIP TO BULK METALS

被引：109

作者：

LAUHER, JW

机构：

[1] Department of Chemistry, State University of New York at Stony Brook, New York, Stony Brook

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1979年 / 101卷 / 10期

关键词：

D O I：

10.1021/ja00504a016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The bonding capabilities of individual metal atoms of a cluster or of an infinite lattice have been estimated, based upon extended Hiickel calculations. Each atom can be assigned a characteristic number of cluster valence molecular orbitals (CVMOs), which is dependent upon the site geometry. The CVMOs can contain metal electrons or can be used as ligand acceptor orbitals. The number of CVMOs located on an atom at a given site is inversely dependent upon the number of nearest neighbors. © 1979, American Chemical Society. All rights reserved.

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页码：2604 / 2607

页数：4

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