Possible Molecular Structure of Promoted Lewis Acidity Sites in ZnZSM-5 | Sciact - CRIS-system of Boreskov Institute of Catalysis

Possible Molecular Structure of Promoted Lewis Acidity Sites in ZnZSM-5 Full article

Journal

International Journal of Quantum Chemistry
ISSN: 0020-7608 , E-ISSN: 1097-461X

Output data

Year: 2004, Volume: 100, Number: 4, Pages: 489-494 Pages count : 6 DOI: 10.1002/qua.20158

Tags

Cluster models, DFT calculations, Lewis acidity, Molecular structure, Structural stability, Zeolites, Zinc cation

Authors

Zhidomirov G.M. ¹ , Shubin A.A. ¹ , Kazansky V.B. ² , van Santen R. ³

Affiliations

1	Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Pr. Akad. Lavrentieva 5, Novosibirsk 630090, Russia
2	Zelinsky Institute of Organic Chemistry of Russian Academy of Sciences, Moscow, Russia
3	Schuit Institute of Catalysis, Eindhoven University of Technology, Eindhoven, The Netherlands

Funding (2)

1	Council for Grants of the President of the Russian Federation	НШ-1140.2003.3
2	Netherlands Organisation for Scientific Research

It is suggested that the abnormal methane IR frequency shift observed in ZnZSM-5 zeolites is caused by adsorptive interaction of CH4 with particularly strong Zn2+ Lewis sites. Various molecular structures of zinc ion species in high-silica zeolites are discussed, and it is concluded that increased Lewis acidity of a site is associated with decreased structural stability. It is shown that Zn2+ in zeolite cationic position with distantly placed A1 ions can produce observed shift of vibrational frequencies for adsorbed methane molecule.

Zhidomirov G.M. , Shubin A.A. , Kazansky V.B. , van Santen R.
Possible Molecular Structure of Promoted Lewis Acidity Sites in ZnZSM-5
International Journal of Quantum Chemistry. 2004. V.100. N4. P.489-494. DOI: 10.1002/qua.20158 WOS Scopus РИНЦ ANCAN OpenAlex

Submitted:	Aug 4, 2003
Accepted:	Feb 27, 2004
Published online:	Jun 28, 2004
Published print:	Nov 15, 2004

Web of science:	WOS:000224637400022
Scopus:	2-s2.0-7544247580
Elibrary:	13466446
Chemical Abstracts:	2004:908344
Chemical Abstracts (print):	142:285557
OpenAlex:	W1979796762

DB	Citing
Web of science	33
Scopus	34
Elibrary	34
OpenAlex	32