Cluster Quantum-Chemical Study of the Interaction of Carbon Monoxide with Surface Acid Centers of Highly Dispersed Magnesium Chloride Full article
Journal |
Catalysis Letters
ISSN: 1011-372X , E-ISSN: 1572-879X |
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Output data | Year: 1994, Volume: 29, Number: 1-2, Pages: 209-215 Pages count : 7 DOI: 10.1007/BF00814266 | ||
Tags | carbon monoxide adsorption, magnesium chloride, quantum-chemical MINDO/3 calculations | ||
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Abstract:
Within the MINDO /3 method, cluster models giving a description of highly dispersed magnesium chloride containing all sets of acid sites, i.e. three-, four- and five-coordinate magnesium ions, and surface hydroxyl groups have been proposed. Three types of CO adsorption complexes on the magnesium chloride surface have been considered. The C-O stretching frequencies of these adsorption complexes and the O-H stretching frequencies of hydroxyl groups on magnesium chloride calculated by a harmonic oscillator approach are in good agreement with available experimental and theoretical data.
Cite:
Zhanpeisov N.U.
, Paukshtis E.A.
, Zhidomirov G.M.
, Zakharov V.A.
Cluster Quantum-Chemical Study of the Interaction of Carbon Monoxide with Surface Acid Centers of Highly Dispersed Magnesium Chloride
Catalysis Letters. 1994. V.29. N1-2. P.209-215. DOI: 10.1007/BF00814266 WOS Scopus РИНЦ
Cluster Quantum-Chemical Study of the Interaction of Carbon Monoxide with Surface Acid Centers of Highly Dispersed Magnesium Chloride
Catalysis Letters. 1994. V.29. N1-2. P.209-215. DOI: 10.1007/BF00814266 WOS Scopus РИНЦ
Dates:
Published print: | Mar 1, 1994 |
Submitted: | Apr 29, 1994 |
Accepted: | Aug 3, 1994 |
Identifiers:
Web of science | WOS:A1994PR85400022 |
Scopus | 2-s2.0-0011987470 |
Elibrary | 30814895 |
Chemical Abstracts | 1994:687308 |
Chemical Abstracts (print) | 121:287308 |
OpenAlex | W2009610757 |