Quantum Chemical Treatment of Active Sites in Zeolites Review
| Conference |
2nd Russian-Korean Seminar on Catalysis 16-19 May 1995 , Novosibirsk |
||
|---|---|---|---|
| Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
||
| Output data | Year: 1996, Volume: 57, Number: 2, Pages: 263-274 Pages count : 12 DOI: 10.1007/BF02064741 | ||
| Tags | H-FeZSM-5, Reaction mechanism, Selective oxidizing active sites, Titanium silicalite, Zeolite acid sites | ||
| Authors |
|
||
| Affiliations |
|
Funding (1)
| 1 | International Science Foundation | RBH300 |
Abstract:
A short review on the quantum chemical study of the Bronsted and Lewis acid sites (BAS and LAS) is presented. Various factors that strongly influence the power of BAS in zeolites are considered. Different possible ways of LAS formation in zeolites are discussed. The probable mechanism of selective oxidation in FeHZSM-5 is considered and the resulting active site structure is calculated ab initio. The initial step of hydrogen peroxide activation in
Ti-silicalite is studied and the scale of the energy of structural deformation to proceed during the reaction is evaluated.
Cite:
Zhidomirov G.M.
, Arbuznikov A.V.
, Yudanov I.V.
, Kachurovskaya N.A.
Quantum Chemical Treatment of Active Sites in Zeolites
Reaction Kinetics and Catalysis Letters. 1996. V.57. N2. P.263-274. DOI: 10.1007/BF02064741 WOS Scopus РИНЦ ANCAN OpenAlex
Quantum Chemical Treatment of Active Sites in Zeolites
Reaction Kinetics and Catalysis Letters. 1996. V.57. N2. P.263-274. DOI: 10.1007/BF02064741 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | Jun 8, 1995 |
| Accepted: | Jul 24, 1995 |
| Published print: | Mar 1, 1996 |
Identifiers:
| Web of science: | WOS:A1996VF17000008 |
| Scopus: | 2-s2.0-0001449795 |
| Elibrary: | 13233265 |
| Chemical Abstracts: | 1996:499895 |
| Chemical Abstracts (print): | 125:152064 |
| OpenAlex: | W2045057439 |