The Role of Distant Al Atoms in Alkaline Earth Zeolites for Stabilization of Hydroxyl Groups Full article
Journal |
The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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Output data | Year: 2012, Volume: 116, Number: 3, Pages: 2399-2410 Pages count : 12 DOI: 10.1021/jp205028c | ||||
Tags | Alkaline earth metals; Atoms; Energy management; Positive ions; Silicate minerals; Stabilization; Zeolites | ||||
Authors |
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Affiliations |
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Funding (3)
1 | Russian Foundation for Basic Research | 11-01-00280 |
2 | Wallonie-Bruxelles International | 2008/18342 |
3 | University of Namur | 2.4578.02 |
Abstract:
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].
Cite:
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
Dates:
Submitted: | May 30, 2011 |
Accepted: | Dec 21, 2011 |
Published online: | Jan 18, 2012 |
Published print: | Jan 26, 2012 |
Identifiers:
Web of science | WOS:000299584400046 |
Scopus | 2-s2.0-84856324712 |
Elibrary | 17975001 |
Chemical Abstracts | 2011:1658868 |
Chemical Abstracts (print) | 156:133492 |
OpenAlex | W2016544143 |