Theoretical investigation of the 1,3-migration of hydrogen in the telomerization of ethylene and propylene with methanol

Theoretical investigation of the 1,3-migration of hydrogen in the telomerization of ethylene and propylene with methanol Научная публикация

Журнал

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science
ISSN: 0568-5230 , E-ISSN: 2376-8444

Вых. Данные

Год: 1990, Том: 39, Номер: 9, Страницы: 1832-1838 Страниц : 7 DOI: 10.1007/bf00958247

Авторы

Pinyaskin V.V. ¹ , Stankevich I.V. ¹ , Terent'ev A.B. ¹ , Chistyakov A.L. ¹

Организации

1	A. N. Nesmeyanov Institute of Heteroorganic Chemistry, Academy of Sciences of the USSR, Moscow

Semiempirical quantum-chemical calculations by the MINDO/3 method have been carried out with complete optimization of the geometry of all the radicals in the molecules which take part in the telomerization of ethylene and propylene with methanol. For each of the telomerization processes the transition states have been determined for three competing reactions: 1,3-H-migration, chain transfer, and chain growth. It is concluded by a comparison of the heat effects and the potential barriers that 1,3-H-migration is possible for the telomerization of propylene, but improbable for the telomerization of ethylene

Pinyaskin V.V. , Stankevich I.V. , Terent'ev A.B. , Chistyakov A.L.
Theoretical investigation of the 1,3-migration of hydrogen in the telomerization of ethylene and propylene with methanol
Bulletin of the Academy of Sciences of the USSR Division of Chemical Science. 1990. V.39. N9. P.1832-1838. DOI: 10.1007/bf00958247 РИНЦ OpenAlex

Поступила в редакцию:	2 авг. 1989 г.
Опубликована online:	8 янв. 2018 г.

РИНЦ:	30976889
OpenAlex:	W1968290343