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Quantum-Chemical Study of Ethylene Oligomerization in the Presence of Indvidual Organoaluminium Compounds Научная публикация

Журнал Journal of Molecular Catalysis
ISSN: 0304-5102
Вых. Данные Год: 1982, Том: 14, Номер: 2, Страницы: 171-184 Страниц : 14 DOI: 10.1016/0304-5102(82)80035-7
Авторы Zakharov I.I. 1 , Zakharov V.A. 1
Организации
1 Institute of Catalysis, Novosibirsk, 630090 (U.S.S.R.)
Реферат: The addition of ethylene to Al(CH3)3, AlH3, (CH3)2AlH and β-elimination of olefin from (CH3)2AlC3H7 have been studied using the MINDO/3 method. The addition reaction over Al-C and Al-H bonds has been shown to proceed via a two-stage mechanism, which includes the formation of an intermediate π-complex with further cis-insertion of coordinated olefin. The nature of the activation energy is determined by the rearrangement of the active center structure at the coordination stage, and on the rupture of the π-bond of coordinated olefin at the stage of insertion. Different insertion reactivities of olefin over the M-L bond (where M = a transition or non-transition metal, L = alkyl or hydrogen) was interpreted by analysis of the orbital symmetry of the transition state.
Библиографическая ссылка: Zakharov I.I. , Zakharov V.A.
Quantum-Chemical Study of Ethylene Oligomerization in the Presence of Indvidual Organoaluminium Compounds
Journal of Molecular Catalysis. 1982. V.14. N2. P.171-184. DOI: 10.1016/0304-5102(82)80035-7 WOS Scopus РИНЦ CAPlusCA OpenAlex Sciact
Даты:
Поступила в редакцию: 3 дек. 1980 г.
Опубликована в печати: 1 февр. 1982 г.
Опубликована online: 2 окт. 2001 г.
Идентификаторы БД:
Web of science: WOS:A1982NA11200002
Scopus: 2-s2.0-0020087511
РИНЦ: 28815315
Chemical Abstracts: 1982:121924
Chemical Abstracts (print): 96:121924
OpenAlex: W2077346819
Sciact: 12798
Цитирование в БД:
БД Цитирований
Scopus 12
OpenAlex 10
Альметрики: