Ethylene Adsorption and Transformation on Zeolite Ga+/ZSM-5 Научная публикация
Журнал |
Russian Chemical Bulletin
ISSN: 1066-5285 , E-ISSN: 1573-9171 |
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Вых. Данные | Год: 2015, Том: 64, Номер: 2, Страницы: 278-283 Страниц : 6 DOI: 10.1007/s11172-015-0857-y | ||
Ключевые слова | B3LYP functional, density functional theory, ethylene, Ga/ZSM-5, IR spectroscopy, oligomerization, quantum chemical calculations | ||
Авторы |
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Организации |
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Реферат:
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
Библиографическая ссылка:
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
Оригинальная:
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
Даты:
Поступила в редакцию: | 7 апр. 2014 г. |
Принята к публикации: | 22 окт. 2014 г. |
Опубликована в печати: | 1 февр. 2015 г. |
Опубликована online: | 20 окт. 2015 г. |
Идентификаторы БД:
Web of science | WOS:000363260900002 |
Scopus | 2-s2.0-84945192311 |
РИНЦ | 24963643 |
Chemical Abstracts | 2015:1680440 |
Chemical Abstracts (print) | 163:617755 |
OpenAlex | W2178873196 |