Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites

V. B. Kazansky, M. V. Frash, R.A. van Santen

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

18 Citations (Scopus)
59 Downloads (Pure)

Abstract

Ab initio quantum-chemical cluster calculations demonstrate that the activated complexes of hydride transfer reaction in catalytic transformations of paraffins on zeolites very much resembles adsorbed nonclassical carbonium ions. The calculated activation energies for reactions involving propane and isobutane are in reasonable agreement with experimental data.

Original languageEnglish
Title of host publicationProgress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea
EditorsH. Chon, S.-K. Ihm, Y.S. Uh
Place of PublicationAmsterdam
PublisherElsevier
Pages2283-2290
Number of pages8
ISBN (Print)0-444-82344-1
DOIs
Publication statusPublished - 1997
Event11th International Zeolite conference - Seoul, Korea, Democratic People's Republic of
Duration: 12 Aug 199617 Aug 1996
Conference number: 11

Publication series

NameStudies in Surface Science and Catalysis
PublisherElsevier
Volume105C
ISSN (Print)0167-2991

Conference

Conference11th International Zeolite conference
Abbreviated titleIZC
Country/TerritoryKorea, Democratic People's Republic of
CitySeoul
Period12/08/9617/08/96
Other11th International Zeolite conference, Seoul, Korea, 12-17-August 1996

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