Structural Topology and Chemical Bonding in Laves Phases

被引：48
|
作者：
Ormeci, Alim [2 ]
Simon, Arndt [1 ]
Grin, Yuri [2 ]
机构：
[1] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany
[2] Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 47期
关键词：
chemical bonding; electron density; electron localizabilty indicator; Laves phases; ELECTRON LOCALIZATION FUNCTION; INTERMETALLIC COMPOUNDS; ALKALI-METALS; LOCALIZABILITY; ELECTRONEGATIVITY; COMPOUND; REPRESENTATION; STABILITY; ELEMENTS; DENSITY;
D O I：
10.1002/anie.201001534
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A combined analysis of the electron localizability indicator (ELI; see isosurface ELI for TiBe2) and electron density, the characteristic structural motif of the Laves phases MN2 was shown to be mainly stabilized by charge transfer from M to N. In different groups of Laves phases, the bonding situation ranges from multicenter bonds between M and N atoms to the formation of Nδ- polyanions. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：8997 / 9001
页数：5
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