Quantum chemical simulation for the mechanism of benzene bromination Научная публикация
| Журнал |
Russian Chemical Bulletin
ISSN: 1573-9171 , E-ISSN: 1066-5285 |
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| Вых. Данные | Год: 2021, Том: 70, Номер: 6, Страницы: 1080-1083 Страниц : 4 DOI: 10.1007/s11172-021-3187-2 | ||
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Реферат:
Quantum chemical calculations performed using the M06-2X/6-311+G(D) method have revealed some features of the reaction of benzene with bromine in the presence of aluminum bromide. A possibility for the formation of product of the 1,4-addition of complex Br2—AlBr3 to the benzene molecule in the reaction mixture was demonstrated. Such adducts may be of interest upon considering reactions of the electrophilic substitution in benzenes bearing acceptor groups and azines. The acquired results generally confirm the mechanism accepted commonly for the electrophilic aromatic substitution.
Библиографическая ссылка:
Nesterov I.D.
, Belen’kii L.I.
, Pivina T.S.
Quantum chemical simulation for the mechanism of benzene bromination
Russian Chemical Bulletin. 2021. V.70. N6. P.1080-1083. DOI: 10.1007/s11172-021-3187-2 WOS Scopus OpenAlex
Quantum chemical simulation for the mechanism of benzene bromination
Russian Chemical Bulletin. 2021. V.70. N6. P.1080-1083. DOI: 10.1007/s11172-021-3187-2 WOS Scopus OpenAlex
Идентификаторы БД:
| Web of science: | WOS:000673579800005 |
| Scopus: | 2-s2.0-85110381757 |
| OpenAlex: | W3179495659 |