The Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups Научная публикация
Журнал |
The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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Вых. Данные | Год: 2012, Том: 116, Номер: 3, Страницы: 2399-2410 Страниц : 12 DOI: 10.1021/jp205028c | ||||
Ключевые слова | Alkaline earth metals; Atoms; Energy management; Positive ions; Silicate minerals; Stabilization; Zeolites | ||||
Авторы |
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Организации |
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Информация о финансировании (3)
1 | Российский фонд фундаментальных исследований | 11-01-00280 |
2 | Wallonie-Bruxelles International | 2008/18342 |
3 | University of Namur | 2.4578.02 |
Реферат:
The traditional point of view about water cleavage at divalent cations in alkaline earth (AE) mordenite (MOR) and faujasite (FAU) zeolites was not supported by energy analysis at both the isolated cluster level and the computations with periodic conditions if the cation is located in the vicinity of both Al atoms. A new hypothesis about the kinetic (and not thermodynamic) stabilization of hydroxyl groups near one noncompensated distant Al atom is verified theoretically to explain the acidic nature of the AE cationic MOR and FAU forms. This model allows the development of qualitative interpretation of the temperature variations in the IR spectra upon hydration, dehydration, and rehydration.
Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups. Available from: https://www.researchgate.net/publication/263945790_Role_of_Distant_Al_Atoms_in_Alkaline_Earth_Zeolites_for_Stabilization_of_Hydroxyl_Groups [accessed May 7, 2015].
Библиографическая ссылка:
Larin A.V.
, Rybakov A.A.
, Zhidomirov G.M.
The Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups
The Journal of Physical Chemistry C. 2012. V.116. N3. P.2399-2410. DOI: 10.1021/jp205028c WOS Scopus РИНЦ
The Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups
The Journal of Physical Chemistry C. 2012. V.116. N3. P.2399-2410. DOI: 10.1021/jp205028c WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 30 мая 2011 г. |
Принята к публикации: | 21 дек. 2011 г. |
Опубликована online: | 18 янв. 2012 г. |
Опубликована в печати: | 26 янв. 2012 г. |
Идентификаторы БД:
Web of science | WOS:000299584400046 |
Scopus | 2-s2.0-84856324712 |
РИНЦ | 17975001 |
Chemical Abstracts | 2011:1658868 |
Chemical Abstracts (print) | 156:133492 |
OpenAlex | W2016544143 |