Hypothetical transition state for reactions of olefins on the surface of acid catalysts
Journal Article
·
· Kinet. Catal. (Engl. Transl.); (United States)
OSTI ID:5838132
Within the framework of the cluster approach in the CNDO/BW approximation, the authors present calculations of the hypothetical carbonium ion transition structure for reaction of the olefin with the surface bridging OH group of the aluminosilicate, showing that in the indicated system it is possible to realize adsorption transition states which are similar to the carbonium ion in electric state.
- Research Organization:
- L.Ya. Karpov Scientific-Research Physical Chemistry Institute, Moscow (USSR)
- OSTI ID:
- 5838132
- Journal Information:
- Kinet. Catal. (Engl. Transl.); (United States), Journal Name: Kinet. Catal. (Engl. Transl.); (United States) Vol. 29:4; ISSN KICAA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ADSORPTION
ALKENES
ALUMINIUM COMPOUNDS
ALUMINIUM SILICATES
ATOMIC MODELS
BROENSTED ACIDS
CARBON COMPOUNDS
CARBONIUM COMPOUNDS
CATALYSIS
CATALYSTS
CATALYTIC EFFECTS
CHARGE DISTRIBUTION
ELECTRON DENSITY
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
HETEROGENEOUS CATALYSIS
HYDROCARBONS
HYDROGEN COMPOUNDS
INORGANIC ACIDS
MATHEMATICAL MODELS
OPTIMIZATION
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
PH VALUE
SILICATES
SILICON COMPOUNDS
SORPTION
400201* -- Chemical & Physicochemical Properties
ADSORPTION
ALKENES
ALUMINIUM COMPOUNDS
ALUMINIUM SILICATES
ATOMIC MODELS
BROENSTED ACIDS
CARBON COMPOUNDS
CARBONIUM COMPOUNDS
CATALYSIS
CATALYSTS
CATALYTIC EFFECTS
CHARGE DISTRIBUTION
ELECTRON DENSITY
ELECTRONIC STRUCTURE
ENERGY-LEVEL TRANSITIONS
HETEROGENEOUS CATALYSIS
HYDROCARBONS
HYDROGEN COMPOUNDS
INORGANIC ACIDS
MATHEMATICAL MODELS
OPTIMIZATION
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
PH VALUE
SILICATES
SILICON COMPOUNDS
SORPTION