Molecular Models of Catalytically Active Sites in Zeolites. Quantum Chemical Approach Review
| Conference |
Catalysis on the eve of the XXI century: science and engineering : 2nd International Memorial G.K. Boreskov Conference 07-11 Jul 1997 , Novosibirsk |
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| Journal |
Catalysis Today
ISSN: 0920-5861 , E-ISSN: 1873-4308 |
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| Output data | Year: 1999, Volume: 51, Number: 3-4, Pages: 397-410 Pages count : 14 DOI: 10.1016/S0920-5861(99)00029-2, 10.1002/chin.199939233 | ||
| Tags | Acid sites, Epoxidation, Zeolites | ||
| Authors |
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| Affiliations |
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Funding (4)
| 1 | Russian Foundation for Basic Research | 96-15-97571 |
| 2 | Russian Foundation for Basic Research | 97-03-33646 |
| 3 | International Association for the Promotion of Co-operation with Scientists from the New Independent States of the Former Soviet Union | 93-1876 |
| 4 | Volkswagen Foundation | I/68 691 |
Abstract:
A brief review of quantum chemical studies of different active sites in zeolites is presented. Various factors that significantly affect the strength of Brønsted acid sites in zeolites are discussed. An interaction of zeolite protons with entrapped metal particles is considered as a reason of electron-deficiency of metal clusters in zeolite cavities on the Pd and Pt species as an example. Probable precursors of Lewis acid sites (LAS) and reliable molecular models of the LAS in zeolites are discussed on the basis of quantum chemical analysis. Transition metal ions can be catalytically active in the lattice or extra-lattice zeolite positions and the two possibilities are considered for selective oxidation site in titanium silicalite and FeZSM-5 zeolite catalysts, respectively.
Cite:
Zhidomirov G.M.
, Yakovlev A.L.
, Milov M.A.
, Kachurovskaya N.A.
, Yudanov I.V.
Molecular Models of Catalytically Active Sites in Zeolites. Quantum Chemical Approach
Catalysis Today. 1999. V.51. N3-4. P.397-410. DOI: 10.1016/S0920-5861(99)00029-2, 10.1002/chin.199939233 WOS Scopus РИНЦ ANCAN OpenAlex
Molecular Models of Catalytically Active Sites in Zeolites. Quantum Chemical Approach
Catalysis Today. 1999. V.51. N3-4. P.397-410. DOI: 10.1016/S0920-5861(99)00029-2, 10.1002/chin.199939233 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Published online: | Jun 2, 1999 |
| Published print: | Jul 29, 1999 |
Identifiers:
| Web of science: | WOS:000080828500007 |
| Scopus: | 2-s2.0-0001697143 |
| Elibrary: | 13307892 |
| Chemical Abstracts: | 1999:340002 |
| Chemical Abstracts (print): | 131:63895 |
| OpenAlex: | W2065034905 |