INDO Study of the Interaction of Methanol with Molybdates Full article
Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Output data | Year: 1978, Volume: 9, Number: 1, Pages: 79-83 Pages count : 5 DOI: 10.1007/BF02070373 | ||||
Tags | Methanol; Physical Chemistry; Catalysis; Molybdate; Force Constant | ||||
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Abstract:
The energy of interaction between a methanol molecule and an MoO42− group of the Fe2(MoO4)3 and Ga2(MoO4)3 lattice, and the force constant of the C−H bond calculated by the INDO method show that the deformation of MoO42− tetrahedra leading to the displacement of Mo6+ to the edge attacked, increase the stabilizing contribution to the energy and decrease the C−H force constant. This effect is maximal at 1Mo−O≃2 Å.
Cite:
Sutula V.D.
, Zeif A.P.
, Popov B.I.
, Vadash P.I.
INDO Study of the Interaction of Methanol with Molybdates
Reaction Kinetics and Catalysis Letters. 1978. V.9. N1. P.79-83. DOI: 10.1007/BF02070373 WOS Scopus РИНЦ
INDO Study of the Interaction of Methanol with Molybdates
Reaction Kinetics and Catalysis Letters. 1978. V.9. N1. P.79-83. DOI: 10.1007/BF02070373 WOS Scopus РИНЦ
Dates:
Submitted: | Jul 19, 1977 |
Accepted: | Jan 10, 1978 |
Published print: | Mar 1, 1978 |
Identifiers:
Web of science | WOS:A1978FX41200014 |
Scopus | 2-s2.0-34250275318 |
Elibrary | 30924275 |
Chemical Abstracts | 1979:54344 |
Chemical Abstracts (print) | 90:54344 |
OpenAlex | W1990118571 |