Anhydrous tin and lead hexacyanoferrates (II). Part II. Electronic structure and chemical bonding / Zhukov VP,Zainullina VM,Zubkov VG,Tyutyunnik AP,Denisova TA // SOLID STATE SCIENCES. - 2001. - V. 3, l. 5. - P. 539-544.

ISSN/EISSN:

1293-2558 / нет данных

Type:

Article

Abstract:

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.

Author keywords:

SI

DOI:

10.1016/S1293-2558(01)01154-2

Web of Science ID:

ISI:000170106400002

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	JUN-JUL
Publisher	EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
Address	23 RUE LINOIS, 75724 PARIS CEDEX 15, FRANCE
Language	English
Keywords-Plus	SI
Research-Areas	Chemistry; Physics
Web-of-Science-Categories	Chemistry, Inorganic \& Nuclear; Chemistry, Physical; Physics, Condensed Matter
ResearcherID-Numbers	Tyutyunnik, Alexander/P-2230-2015
Number-of-Cited-References	9
Usage-Count-Since-2013	5
Journal-ISO	Solid State Sci.
Doc-Delivery-Number	456WU