Вид документа : Статья из журнала Шифр издания : 54/E 43 Автор(ы) : Cherkashenko V. M., Nazarova S. Z., Gusev A. I., Ivanovskii A. L. Заглавие : Electronic structure, chemical bonding, and properties of binary carbides MxMy ′ Cz in the Crystalline and molecular states: XES, XPS, and quantum-chemical studies Место публикации : Journal of Structural Chemistry. - 2001. - Vol. 42, № 6. - С. 1002-1024: il. Примечания : Bibliogr. : p. 1021-1024 (103 ref.) ISSN: 0022-4766 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): карбиды бинарные--квантово-химические исследования Аннотация: This paper reviews the results of electronic structure studies and investigations of the nature of chemical bonding and properties of binary d-metal carbides in the crystalline and molecular states. X-ray emission and X-ray photoelectron spectroscopy as well as quantum-chemical data are analyzed, and variations of the electronic properties and interatomic interactions are discussed for carbides of high-melting metals doped on the metal sublattice and a series of their reciprocal solid solutions: NbC–TaC, TiC–VC0.87, TiC–NbC, and NbC–MoC0.67 over a wide range of compositions. Prospects are discussed for application of quantum-chemical methods to structure and property modeling and forecasting for a new class of molecular clusters — binary metallocarbohedrenes M8−nMn ′C12 and related metal–carbon nanoparticles of “mixed” composition Доп.точки доступа: Cherkashenko, V. M.; Nazarova, S. Z.; Назарова Светлана Зямовна; Gusev, A. I.; Гусев Александр Иванович; Ivanovskii, A. L.; Ивановский Александр Леонидович