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

页码：8997 / 9001

页数：5

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