Selective Dimerization of Ethene to 2-Butene on Zn2+-Modified ZSM-5 Zeolite

Zoya N. Lashchinskaya; Anton A. Gabrienko; Alexander A. Kolganov; Evgeny A. Pidko; Alexander G. Stepanov

doi:10.1021/acs.jpcc.2c01101

Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite

Zoya N. Lashchinskaya, Anton A. Gabrienko, Alexander A. Kolganov, Evgeny A. Pidko, Alexander G. Stepanov

ChemE/Inorganic Systems Engineering

Research output: Contribution to journal › Article › Scientific › peer-review

6 Citations (Scopus)

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Abstract

Selective dimerization of ethene to 2-butene on Zn2+-containing ZSM-5 zeolite (Zn2+/ZSM-5) at 296-523 K has been discovered. The intermediate but-3-en-1-ylzinc species is identified with 13C CP/MAS NMR and Fourier transform infrared spectroscopy. The density functional theory study of two alternative dimerization pathways reveals that the intermediate is formed with the involvement of the saturated bridged dimeric Zn-(CH2)4-O species. It is also shown that ethene conversion to 2-butene increases with the increase in the quantity of Brønsted acid sites in Zn2+/ZSM-5 zeolite; however, the selectivity of the reaction decreases. The results obtained are of potential interest for developing industrially relevant Zn-containing zeolite catalysts for the selective conversion of ethene to 2-butene.

Original language	English
Pages (from-to)	6570-6577
Journal	Journal of Physical Chemistry C
Volume	126
Issue number	15
DOIs	https://doi.org/10.1021/acs.jpcc.2c01101
Publication status	Published - 2022

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Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care
Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

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10.1021/acs.jpcc.2c01101

acs.jpcc.2c01101Final published version, 2.03 MB

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@article{b8db60a4777b40baaa67e87ba58731b4,

title = "Selective Dimerization of Ethene to 2-Butene on Zn2+-Modified ZSM-5 Zeolite",

abstract = "Selective dimerization of ethene to 2-butene on Zn2+-containing ZSM-5 zeolite (Zn2+/ZSM-5) at 296-523 K has been discovered. The intermediate but-3-en-1-ylzinc species is identified with 13C CP/MAS NMR and Fourier transform infrared spectroscopy. The density functional theory study of two alternative dimerization pathways reveals that the intermediate is formed with the involvement of the saturated bridged dimeric Zn-(CH2)4-O species. It is also shown that ethene conversion to 2-butene increases with the increase in the quantity of Br{\o}nsted acid sites in Zn2+/ZSM-5 zeolite; however, the selectivity of the reaction decreases. The results obtained are of potential interest for developing industrially relevant Zn-containing zeolite catalysts for the selective conversion of ethene to 2-butene. ",

author = "Lashchinskaya, {Zoya N.} and Gabrienko, {Anton A.} and Kolganov, {Alexander A.} and Pidko, {Evgeny A.} and Stepanov, {Alexander G.}",

note = "Green Open Access added to TU Delft Institutional Repository {\textquoteleft}You share, we take care!{\textquoteright} – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public. ",

year = "2022",

doi = "10.1021/acs.jpcc.2c01101",

language = "English",

volume = "126",

pages = "6570--6577",

journal = "Journal of Physical Chemistry C",

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publisher = "American Chemical Society (ACS)",

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TY - JOUR

T1 - Selective Dimerization of Ethene to 2-Butene on Zn2+-Modified ZSM-5 Zeolite

AU - Lashchinskaya, Zoya N.

AU - Gabrienko, Anton A.

AU - Kolganov, Alexander A.

AU - Pidko, Evgeny A.

AU - Stepanov, Alexander G.

N1 - Green Open Access added to TU Delft Institutional Repository ‘You share, we take care!’ – Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public.

PY - 2022

Y1 - 2022

N2 - Selective dimerization of ethene to 2-butene on Zn2+-containing ZSM-5 zeolite (Zn2+/ZSM-5) at 296-523 K has been discovered. The intermediate but-3-en-1-ylzinc species is identified with 13C CP/MAS NMR and Fourier transform infrared spectroscopy. The density functional theory study of two alternative dimerization pathways reveals that the intermediate is formed with the involvement of the saturated bridged dimeric Zn-(CH2)4-O species. It is also shown that ethene conversion to 2-butene increases with the increase in the quantity of Brønsted acid sites in Zn2+/ZSM-5 zeolite; however, the selectivity of the reaction decreases. The results obtained are of potential interest for developing industrially relevant Zn-containing zeolite catalysts for the selective conversion of ethene to 2-butene.

AB - Selective dimerization of ethene to 2-butene on Zn2+-containing ZSM-5 zeolite (Zn2+/ZSM-5) at 296-523 K has been discovered. The intermediate but-3-en-1-ylzinc species is identified with 13C CP/MAS NMR and Fourier transform infrared spectroscopy. The density functional theory study of two alternative dimerization pathways reveals that the intermediate is formed with the involvement of the saturated bridged dimeric Zn-(CH2)4-O species. It is also shown that ethene conversion to 2-butene increases with the increase in the quantity of Brønsted acid sites in Zn2+/ZSM-5 zeolite; however, the selectivity of the reaction decreases. The results obtained are of potential interest for developing industrially relevant Zn-containing zeolite catalysts for the selective conversion of ethene to 2-butene.

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U2 - 10.1021/acs.jpcc.2c01101

DO - 10.1021/acs.jpcc.2c01101

M3 - Article

AN - SCOPUS:85128512818

SN - 1932-7447

VL - 126

SP - 6570

EP - 6577

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 15

ER -

Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite

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Selective Dimerization of Ethene to 2-Butene on Zn2+-Modified ZSM-5 Zeolite

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Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite