ELECTRONIC-STRUCTURE AND CHEMICAL BONDING IN THE INTERGROWTH PHASE OF MNB4O6 (M=BA, K) / ZHUKOV VP,ZUBKOV VG // JOURNAL OF STRUCTURAL CHEMISTRY. - 1993. - V. 34, l. 5. - P. 706-713.

ISSN/EISSN:

0022-4766 / нет данных

Type:

Article

Abstract:

Electronic structure and chemical bonding in the intergrowth phases Of MNb4O6 (M = Ba, K) have been investigated by the band method in Huckel parameterization; the electronic structure was compared to that of niobium monoxide. Major changes in the electronic structure of MNb4O6 relative to NbO are the result of cleavage of chemical bonds between oxygens of the NbO2 planes and niobiums of the Nb2O layers, and also of a strong covalent bonding between niobiums of the Nb2O planes and oxygens of the MO layers. The changed Mulliken overlap populations of chemical bonds in going from NbO to BaNb4O6 and KNb4O6 correlate well with the changed interatomic distances. The computation of populations allows an explanation of the changed corrugation of the NbO2 planes from BaNb4O6 to KNb4O6 and the difficulties of synthesis of compounds where M is a trivalent metal

Author keywords:

X-RAY-DIFFRACTION; CRYSTAL

DOI:

нет данных

Web of Science ID:

ISI:A1993NK80800008

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	SEP-OCT
Publisher	PLENUM PUBL CORP
Address	CONSULTANTS BUREAU 233 SPRING ST, NEW YORK, NY 10013
Language	English
Keywords-Plus	X-RAY-DIFFRACTION; CRYSTAL
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Inorganic \& Nuclear; Chemistry, Physical
Number-of-Cited-References	15
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	3
Journal-ISO	J. Struct. Chem.
Doc-Delivery-Number	NK808