Special features of ethylene epoxidation by peroxyacetic acid

The B3LYP/6-31G(d, p) method of density functional theory was used to study the influence of carboxylic acid and water molecules on parallel ethylene oxidation reactions (epoxidation and hydroxylation) by peroxyacetic acid with the formation of various products. It was shown that carboxylic acid in the nondissociated form always present in the reaction mixture for several reasons had a catalytic action on this reaction and therefore contributed to an increase in its selectivity. We also found that the water molecule and its dimer facilitated epoxide formation. The suggestion was made that, if the reaction was performed in an aqueous medium, where the acid dissociated, the situation could radically change, and the hydroxylation reaction with the formation of glycol and/or its ester of the corresponding carboxylic acid would become predominant. © 2010 Pleiades Publishing, Ltd.

Авторы
Filimonova N.B. 1 , Vorob'Ev A.V. 1 , Bozhenko K.V. 2 , Moiseeva N.I.3 , Dolin S.P.3 , Gekhman A.E.3 , Moiseev I.I.3
Редакторы
-
Издательство
-
Номер выпуска
3
Язык
Английский
Страницы
408-412
Статус
Опубликовано
Подразделение
-
Номер
-
Том
4
Год
2010
Организации
  • 1 Peoples Friendship University, ul. Miklukho-Maklaya 6, Moscow 117198, Russian Federation
  • 2 Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast 142432, Russian Federation
  • 3 Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow 117907, Russian Federation
Ключевые слова
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Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/2769/