Quantum-Chemical Studies of Olefin Activation on Gallium Oxide Full article
Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Output data | Year: 1979, Volume: 10, Number: 1, Pages: 71-75 Pages count : 5 DOI: 10.1007/BF02067515 | ||
Tags | Oxide; Oxygen; Hydrogen; Physical Chemistry; Catalysis | ||
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Abstract:
The interaction of propylene with gallium oxide has been studied by the MINDO-3 method using a cluster model. It is shown that the energy barrier against allyl C−H bond dissociation is mainly determined by the Coulomb repulsion between the molecule and the central metal ion. Interaction of the dissociating hydrogen with the oxygen of the fragment ensures the stabilization of the system.
Cite:
Zeif A.P.
, Sokolovskii V.D.
, Vadash P.I.
Quantum-Chemical Studies of Olefin Activation on Gallium Oxide
Reaction Kinetics and Catalysis Letters. 1979. V.10. N1. P.71-75. DOI: 10.1007/BF02067515 WOS Scopus РИНЦ
Quantum-Chemical Studies of Olefin Activation on Gallium Oxide
Reaction Kinetics and Catalysis Letters. 1979. V.10. N1. P.71-75. DOI: 10.1007/BF02067515 WOS Scopus РИНЦ
Dates:
Submitted: | Mar 14, 1978 |
Accepted: | May 8, 1978 |
Published print: | Jan 1, 1979 |
Identifiers:
Web of science | WOS:A1979GK88100013 |
Scopus | 2-s2.0-34250265115 |
Elibrary | 30902280 |
Chemical Abstracts | 1979:167834 |
Chemical Abstracts (print) | 90:167834 |
OpenAlex | W2059210920 |
Citing:
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