Shape maps and polyhedral interconversion paths in transition metal chemistry

被引:974
作者
Alvarez, S
Alemany, P
Casanova, D
Cirera, J
Llunell, M
Avnir, D
机构
[1] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain
[2] Univ Barcelona, Ctr Recerca Quim Teor, E-08028 Barcelona, Spain
[3] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel
[4] Hebrew Univ Jerusalem, Lise Meitner Minerva Ctr Computat Quantum Chem, IL-91904 Jerusalem, Israel
关键词
continuous shape measures; stereochemistry; coordination polyhedra;
D O I
10.1016/j.ccr.2005.03.031
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
A systematic study of the stereochemistry of the coordination sphere of transition metal compounds has been carried out recently from the point of view of the continuous shape measures (CShM). In this review, the concept of the continuous shape measures is summarized and the derived tools, the shape maps and the path deviation functions are described. The main stereochemical trends that have been deduced from the application of such tools to more than 23,000 crystallographically independent fragments of coordination numbers between four and eight are also summarized. (c) 2005 Elsevier B.V. All rights reserved.
引用
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页码:1693 / 1708
页数:16
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