Peculiarities of chemical binding in anhydrous lead(II) and tin(II) hexacyanoferrates(II,III) / Zainullina VM,Zhukov VP,Zubkov VG,Tyutyunnik AP,Maksimova LG,Denisova TA // JOURNAL OF STRUCTURAL CHEMISTRY. - 2004. - V. 45, l. 2. - P. 201-205.

ISSN/EISSN:

0022-4766 / нет данных

Type:

Article

Abstract:

The electronic structure and chemical binding of anhydrous lead and tin hexacyanoferrates(II, III) Pb-2-Fe(CN)(6), Pb1.5Fe(CN)(6), and Sn2Fe(CN)(6) were studied by the linear muffm-tin orbital (tight binding approximation) and extended Huckel theory methods. The general tendencies of variation for the stability of the Pb-N, Sn-N, Fe-C, and C-N bonds were determined for Pb2Fe(CN)(6), Pb1.5Fe(CN)(6), and Sn2Fe(CN)(6) crystals. Peculiarities of Pb(Sn)-N chemical interactions in the structure of the phases have been found.

Author keywords:

electronic structure; ab initio calculations; chemical binding; hexacyanoferrates TIN

DOI:

10.1023/B:JORY.0000048869.8064

Web of Science ID:

ISI:000225851200003

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	MAR-APR
Publisher	CONSULTANTS BUREAU
Address	233 SPRING ST, NEW YORK, NY 10013 USA
Language	English
Keywords-Plus	TIN
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Inorganic \& Nuclear; Chemistry, Physical
Author-Email	veronika@ihim.uran.ru
ResearcherID-Numbers	Tyutyunnik, Alexander/P-2230-2015
Number-of-Cited-References	7
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	5
Journal-ISO	J. Struct. Chem.
Doc-Delivery-Number	881GK