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Nest defect as the site of stabilization of transition element ions implanted in high-silica zeolites. Cluster calculation of Fe(II) and Fe(III) ions entrapped by the zeolite matrixстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Ruzankin S.F., Shveigert I.V., Zhidomirov G.M.
- Журнал: Journal of Structural Chemistry
- Том: 43
- Номер: 2
- Год издания: 2002
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 229
- Последняя страница: 233
- DOI: 10.1023/A:1019636104801
- Аннотация: Cluster calculations of the structure of the nest defect in zeolites were carried out by the density functional theory (DFT) method. The hydroxyl groups of the defect form an ordered structure stabilized by hydrogen bonds. Immobilization of Fe(II) and Fe(III) ions by the nest defect from iron chlorides is discussed for the two limiting cases of "rigid" and "labile" lattices, and the resulting structures are compared. The implanted Fe(II) and Fe(III) ions are considered as the precursors of the selective oxidation centers formed by N2O decomposition; the difference between the stabilization energies of oxygen on these centers is evaluated.
- Добавил в систему: Жидомиров Георгий Михайлович