A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site

X. Rozanska, R.A. Santen, van, F. Hutschka

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

4 Citations (Scopus)

Abstract

A DFT study of the cracking reaction of thiophene catalyzed by zeolite is reported. The use of different zeotype catalysts (viz. acidic, metal-exchanged and methoxy) has been shown to successfully induce this reaction. It appears that the thiophene cracking reaction is catalyzed by a basic Lewis site and that acid Bronsted site has only a limited influence on the reaction.
Original languageEnglish
Title of host publicationZeolites and mesoporous materials at the dawn of the 21st century : proceedings of the 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001
EditorsA. Galarneau
Place of PublicationAmsterdam
PublisherElsevier
Pages2611-2617
ISBN (Print)0-444-50238-6
DOIs
Publication statusPublished - 2001
Eventconference; International Zeolite Conference ; 13 (Montpellier) : 2001.07.08-13 -
Duration: 1 Jan 2001 → …

Publication series

NameStudies in Surface Science and Catalysis
Volume135
ISSN (Print)0167-2991

Conference

Conferenceconference; International Zeolite Conference ; 13 (Montpellier) : 2001.07.08-13
Period1/01/01 → …
OtherInternational Zeolite Conference ; 13 (Montpellier) : 2001.07.08-13

Fingerprint

Thiophenes
Discrete Fourier transforms
Zeolites
Catalysts
Metals
Acids

Cite this

Rozanska, X., Santen, van, R. A., & Hutschka, F. (2001). A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site. In A. Galarneau (Ed.), Zeolites and mesoporous materials at the dawn of the 21st century : proceedings of the 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001 (pp. 2611-2617). (Studies in Surface Science and Catalysis; Vol. 135). Amsterdam: Elsevier. https://doi.org/10.1016/S0167-2991(01)81561-5
Rozanska, X. ; Santen, van, R.A. ; Hutschka, F. / A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site. Zeolites and mesoporous materials at the dawn of the 21st century : proceedings of the 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001. editor / A. Galarneau. Amsterdam : Elsevier, 2001. pp. 2611-2617 (Studies in Surface Science and Catalysis).
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Rozanska, X, Santen, van, RA & Hutschka, F 2001, A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site. in A Galarneau (ed.), Zeolites and mesoporous materials at the dawn of the 21st century : proceedings of the 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001. Studies in Surface Science and Catalysis, vol. 135, Elsevier, Amsterdam, pp. 2611-2617, conference; International Zeolite Conference ; 13 (Montpellier) : 2001.07.08-13, 1/01/01. https://doi.org/10.1016/S0167-2991(01)81561-5

A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site. / Rozanska, X.; Santen, van, R.A.; Hutschka, F.

Zeolites and mesoporous materials at the dawn of the 21st century : proceedings of the 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001. ed. / A. Galarneau. Amsterdam : Elsevier, 2001. p. 2611-2617 (Studies in Surface Science and Catalysis; Vol. 135).

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

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AB - A DFT study of the cracking reaction of thiophene catalyzed by zeolite is reported. The use of different zeotype catalysts (viz. acidic, metal-exchanged and methoxy) has been shown to successfully induce this reaction. It appears that the thiophene cracking reaction is catalyzed by a basic Lewis site and that acid Bronsted site has only a limited influence on the reaction.

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Rozanska X, Santen, van RA, Hutschka F. A DFT study of the cracking reaction of thiophene activated by zeotype catalysts: role of the basic Lewis site. In Galarneau A, editor, Zeolites and mesoporous materials at the dawn of the 21st century : proceedings of the 13th International Zeolite Conference, Montpellier, France, 8 - 13 July 2001. Amsterdam: Elsevier. 2001. p. 2611-2617. (Studies in Surface Science and Catalysis). https://doi.org/10.1016/S0167-2991(01)81561-5