Ethylene Adsorption and Transformation on Zeolite Ga+/ZSM-5 Full article
Journal |
Russian Chemical Bulletin
ISSN: 1066-5285 , E-ISSN: 1573-9171 |
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Output data | Year: 2015, Volume: 64, Number: 2, Pages: 278-283 Pages count : 6 DOI: 10.1007/s11172-015-0857-y | ||
Tags | B3LYP functional, density functional theory, ethylene, Ga/ZSM-5, IR spectroscopy, oligomerization, quantum chemical calculations | ||
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Abstract:
The adsorption of ethylene followed by its transformation on zeolite ZSM-5 completely substituted by monovalent gallium cations (Ga+) was studied by diffuse reflectance IR spectroscopy (DRIFT) and quantum chemistry. Ethylene oligomerization without participation of Brönsted acid sites can occur on Ga+/ZSM-5 already at 300 K. Cluster calculations of variants of ethylene activation on the Ga+ cation in the cationic position of the zeolite were performed using the density functional theory (DFT). One of the routes for the formation of oligomeric chains can be the formation of cyclic saturated hydrocarbon structures with the gallium cation. The removal of the formed oligomers from the gallium center in the form of a saturated hydrocarbon cycle (cyclobutane, cyclohexane) is energetically hindered. The mechanism of hydrogenation of oligomeric structures on the gallium center resulting in hydrocarbon-gallium ring opening followed by oligomer adsorption is considered
Cite:
Kuzʹmin I.V.
, Sokolova N.A.
, Subbotina I.R.
, Zhidomirov G.M.
Ethylene Adsorption and Transformation on Zeolite Ga+/ZSM-5
Russian Chemical Bulletin. 2015. V.64. N2. P.278-283. DOI: 10.1007/s11172-015-0857-y WOS Scopus РИНЦ
Ethylene Adsorption and Transformation on Zeolite Ga+/ZSM-5
Russian Chemical Bulletin. 2015. V.64. N2. P.278-283. DOI: 10.1007/s11172-015-0857-y WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Кузьмин И.В.
, Соколова Н.А.
, Субботина И.Р.
, Жидомиров Г.М.
Адсорбция и превращение этилена на цеолите Ga+/ZSM-5
Известия Академии наук. Серия химическая. 2015. №2. С.278-283. РИНЦ
Адсорбция и превращение этилена на цеолите Ga+/ZSM-5
Известия Академии наук. Серия химическая. 2015. №2. С.278-283. РИНЦ
Dates:
Submitted: | Apr 7, 2014 |
Accepted: | Oct 22, 2014 |
Published print: | Feb 1, 2015 |
Published online: | Oct 20, 2015 |
Identifiers:
Web of science | WOS:000363260900002 |
Scopus | 2-s2.0-84945192311 |
Elibrary | 24963643 |
Chemical Abstracts | 2015:1680440 |
Chemical Abstracts (print) | 163:617755 |
OpenAlex | W2178873196 |