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

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

doi:10.1016/S0167-2991(97)80701-X

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

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

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Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

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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 language	English
Title of host publication	Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea
Editors	H. Chon, S.-K. Ihm, Y.S. Uh
Place of Publication	Amsterdam
Publisher	Elsevier
Pages	2283-2290
Number of pages	8
ISBN (Print)	0-444-82344-1
DOIs	https://doi.org/10.1016/S0167-2991(97)80701-X
Publication status	Published - 1997
Event	11th International Zeolite conference - Seoul, Korea, Democratic People's Republic of Duration: 12 Aug 1996 → 17 Aug 1996 Conference number: 11

Publication series

Name	Studies in Surface Science and Catalysis
Publisher	Elsevier
Volume	105C
ISSN (Print)	0167-2991

Conference

Conference	11th International Zeolite conference
Abbreviated title	IZC
Country/Territory	Korea, Democratic People's Republic of
City	Seoul
Period	12/08/96 → 17/08/96
Other	11th International Zeolite conference, Seoul, Korea, 12-17-August 1996

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10.1016/S0167-2991(97)80701-X

Cite this

Kazansky, V. B., Frash, M. V., & van Santen, R. A. (1997). Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. In H. Chon, S-K. Ihm, & Y. S. Uh (Eds.), Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea (pp. 2283-2290). (Studies in Surface Science and Catalysis; Vol. 105C). Elsevier. https://doi.org/10.1016/S0167-2991(97)80701-X

Kazansky, V. B. ; Frash, M. V. ; van Santen, R.A. / Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. editor / H. Chon ; S.-K. Ihm ; Y.S. Uh. Amsterdam : Elsevier, 1997. pp. 2283-2290 (Studies in Surface Science and Catalysis).

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title = "Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites",

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.",

author = "Kazansky, {V. B.} and Frash, {M. V.} and {van Santen}, R.A.",

year = "1997",

doi = "10.1016/S0167-2991(97)80701-X",

language = "English",

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series = "Studies in Surface Science and Catalysis",

publisher = "Elsevier",

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editor = "H. Chon and S.-K. Ihm and Y.S. Uh",

booktitle = "Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea",

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note = "11th International Zeolite conference, IZC ; Conference date: 12-08-1996 Through 17-08-1996",

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Kazansky, VB, Frash, MV & van Santen, RA 1997, Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. in H Chon, S-K Ihm & YS Uh (eds), Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. Studies in Surface Science and Catalysis, vol. 105C, Elsevier, Amsterdam, pp. 2283-2290, 11th International Zeolite conference, Seoul, Korea, Democratic People's Republic of, 12/08/96. https://doi.org/10.1016/S0167-2991(97)80701-X

Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. / Kazansky, V. B.; Frash, M. V.; van Santen, R.A.

Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. ed. / H. Chon; S.-K. Ihm; Y.S. Uh. Amsterdam : Elsevier, 1997. p. 2283-2290 (Studies in Surface Science and Catalysis; Vol. 105C).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

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T1 - Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites

AU - Kazansky, V. B.

AU - Frash, M. V.

AU - van Santen, R.A.

N1 - Conference code: 11

PY - 1997

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N2 - 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.

AB - 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.

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DO - 10.1016/S0167-2991(97)80701-X

M3 - Conference contribution

SN - 0-444-82344-1

T3 - Studies in Surface Science and Catalysis

SP - 2283

EP - 2290

BT - Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea

A2 - Chon, H.

A2 - Ihm, S.-K.

A2 - Uh, Y.S.

PB - Elsevier

CY - Amsterdam

T2 - 11th International Zeolite conference

Y2 - 12 August 1996 through 17 August 1996

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Kazansky VB, Frash MV, van Santen RA. Quantum-chemical study of hydride transfer in catalytic transformations of paraffins on zeolites. In Chon H, Ihm S-K, Uh YS, editors, Progress in zeolite and microporous materials : proceedings of the 11th International Zeolite Conference, Seoul, Korea. Amsterdam: Elsevier. 1997. p. 2283-2290. (Studies in Surface Science and Catalysis). https://doi.org/10.1016/S0167-2991(97)80701-X

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

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