Anhydrous tin and lead hexacyanoferrates (II). Part II. Electronic structure and chemical bonding

被引：5

作者：

Zhukov, VP ^{[1
]}

Zainullina, VM ^{[1
]}

Zubkov, VG ^{[1
]}

Tyutyunnik, AP ^{[1
]}

Denisova, TA ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Solid State Chem, Urals Branch, Ekaterinburg, Russia

来源：

SOLID STATE SCIENCES | 2001年 / 3卷 / 05期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1016/S1293-2558(01)01154-2

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The electronic structure and chemical bonding of anhydrous tin and lead hexacyanoferrates (H) have been studied using the linear muffin-tin orbital method in the tight-binding minimal basis set approximation and serni-empirical Huckel method. The hybridised sand p-states of CN-groups were shown to have a dominant influence on the electronic structure of these compounds, that results in strong splitting of iron d-states. The chemical bonding C-N and Fe-C in the [Fe(CN)(6)](4-)-complex are mainly covalent. Bonds between Pb(Sn) and N atoms are more weak covalent and anisotropic. The low stability of tin hexacyanoferrate is due to high anisotropy of Sn-TN bonding. (C) 2001 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

引用

页码：539 / 544

页数：6

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