Structure of Bi- and Trinuclear Clusters of Aluminum Ions at the Cationic Sites of Mordenite Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 2014, Volume: 55, Number: 4, Pages: 583-594 Pages count : 12 DOI: 10.1134/S0022476614040015 | ||||||
Tags | Aluminum clusters, Mordenite, Simulation | ||||||
Authors |
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Affiliations |
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Funding (2)
1 | The Ministry of Education and Science of the Russian Federation | 07.514.11.4150 |
2 | Russian Foundation for Basic Research | 12-03-00749 |
Abstract:
The structures and stability of bi- and trinuclear Al clusters at the cationic sites in an 8-membered ring of mordenite are calculated within the cluster approach using the DFT method. Adsorption heats of hydrogen and water, hydrogenation and hydrolysis reactions are compared with similar values for the Ga cluster at the cationic sites of a similar Ga-exchange form of mordenite whose existence is consistent with the experiment. The effect of a different arrangement of lattice aluminum atoms in the 8-membered ring of mordenite is analyzed.
Cite:
Larin A.V.
, Zhidomirov G.M.
Structure of Bi- and Trinuclear Clusters of Aluminum Ions at the Cationic Sites of Mordenite
Journal of Structural Chemistry. 2014. V.55. N4. P.583-594. DOI: 10.1134/S0022476614040015 WOS Scopus РИНЦ
Structure of Bi- and Trinuclear Clusters of Aluminum Ions at the Cationic Sites of Mordenite
Journal of Structural Chemistry. 2014. V.55. N4. P.583-594. DOI: 10.1134/S0022476614040015 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Ларин А.В.
, Жидомиров Г.М.
Структура биядерных и трехъядерных кластеров ионов алюминия в катионных позициях морденита
Журнал структурной химии. 2014. Т.55. №4. С.619-630. РИНЦ
Структура биядерных и трехъядерных кластеров ионов алюминия в катионных позициях морденита
Журнал структурной химии. 2014. Т.55. №4. С.619-630. РИНЦ
Dates:
Submitted: | Mar 20, 2013 |
Published print: | Jul 1, 2014 |
Published online: | Sep 21, 2014 |
Identifiers:
Web of science | WOS:000342415000001 |
Scopus | 2-s2.0-84919394990 |
Elibrary | 24019996 |
Chemical Abstracts | 2014:1582525 |
OpenAlex | W2130767961 |