HYPERBOLIC LONE-PAIR STRUCTURE IN RHBI4

被引：49

作者：

GRIN, Y ^{[1
]}

WEDIG, U ^{[1
]}

VONSCHNERING, HG ^{[1
]}

机构：

[1] MAX PLANCK INST FESTKORPERFORSCH, D-70569 STUTTGART, GERMANY

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 1995年 / 34卷 / 11期

关键词：

ELECTRON LOCALIZATION FUNCTION; INTERMETALLIC PHASES; PERIODIC NODAL SURFACE; POLYHEDRAL NETS;

D O I：

10.1002/anie.199512041

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Two catena‐like interpenetrating enantiomorphic frameworks of condensed tetragonal antiprisms, RhBi8/2, form the basis of the crystal structure of RhBi4. The electron localization function (ELF) shows high localization of the valence electrons only on the periphery of the frameworks (lone pairs of Bi atoms), whereas the electrons inside the nets are delocalized. The periodic nodal surface (PNS) I2‐Y** describes perfectly the hyperbolic organization of the entire RhBi4 structure. It separates the regions with low electron localization inside the polyhedral nets from the hyperbolic layer of the lone pairs. Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：1204 / 1206

页数：3

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