On the Nature of Superactive Centers in H-ZSM-5 Zeolites: Quantum Chemical Calculations Full article
Journal |
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic)
ISSN: 0304-5102 |
||
---|---|---|---|
Output data | Year: 1993, Volume: 80, Number: 2, Pages: 243-251 Pages count : 9 DOI: 10.1016/0304-5102(93)85081-4 | ||
Tags | iron; quantum chemical calculations; superactive centres; zeolites | ||
Authors |
|
||
Affiliations |
|
Abstract:
A model of the superactive Fe-containing catalytic centers detected in thermally activated H-FeZSM-5 zeolites is proposed. With the help of the NDDO/MC quantum chemical calculations the extraordinary catalytic properties of these centers in oxidations by N2O molecules are explained. The calculations for some intermediates of the N2O decomposition have been performed and results are compared with previous experimental data. It is shown that N2O decomposition could not occur on the Al containing centers. kw:iron; quantum chemical calculations; superactive centres; zeolites
Cite:
Filatov M.J.
, Pelmenschikov A.G.
, Zhidomirov G.M.
On the Nature of Superactive Centers in H-ZSM-5 Zeolites: Quantum Chemical Calculations
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic). 1993. V.80. N2. P.243-251. DOI: 10.1016/0304-5102(93)85081-4 WOS Scopus РИНЦ
On the Nature of Superactive Centers in H-ZSM-5 Zeolites: Quantum Chemical Calculations
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic). 1993. V.80. N2. P.243-251. DOI: 10.1016/0304-5102(93)85081-4 WOS Scopus РИНЦ
Dates:
Submitted: | Jul 8, 1992 |
Accepted: | Nov 2, 1992 |
Published print: | Mar 19, 1993 |
Published online: | Oct 2, 2001 |
Identifiers:
Web of science | WOS:A1993KV11600010 |
Scopus | 2-s2.0-0027555087 |
Elibrary | 31162168 |
Chemical Abstracts | 1993:261630 |
Chemical Abstracts (print) | 118:261630 |
OpenAlex | W2747527485 |