Quantum chemical investigation of the acylation reaction of bicyclophosphites by acyl galogenides
Babkin V. A., Savin G. A., Dmitriev V. Y., Ignatov A. V., Rakhimov A. I., Fomichev V. T., Belousova V. S., Zaikov G. E.
Oxidation Communications
Vol.41, Issue4, P. 477-482
Опубликовано: 2018
Тип ресурса: Статья
Аннотация:
The mechanism of synthesis of substituted phosphorinanes, consisting of three stages, was analysed. It was established that all the three stages have the features of the mechanism of bimolecular nucleophilic SN2 substitution and are barrier exothermic. Summary fusion reaction energy barrier of the phosphorinanes is equal to 674 kJ/mol and the reaction thermal reaction effect is 33 kJ/mol. © 2018, Scibulcom Ltd. All rights reserved.
Ключевые слова:
Acyl halide; Bicyclophosphite; Energy barrier; Phosphorinanes; Synthesis mechanism; Thermal reaction effect
Язык текста: Английский
ISSN: 0209-4541
Babkin V. A.
Savin G. A.
Dmitriev V. Y.
Ignatov A. V.
Rakhimov A. I.
Fomichev V. T.
Belousova V. S. Vera Sergeevna 1977-
Zaikov G. E.
Бабкин В. А.
Савин Г. А.
Дмитриев В. Y.
Игнатов А. В.
Рахимов А. И.
Фомичев В. Т.
Белоусова В. С. Вера Сергеевна 1977-
Заиков Г. Е.
Quantum chemical investigation of the acylation reaction of bicyclophosphites by acyl galogenides
Текст визуальный непосредственный
Oxidation Communications
Scientific Bulgarian Communication
Vol.41, Issue4 P. 477-482
2018
Статья
Acyl halide Bicyclophosphite Energy barrier Phosphorinanes Synthesis mechanism Thermal reaction effect
The mechanism of synthesis of substituted phosphorinanes, consisting of three stages, was analysed. It was established that all the three stages have the features of the mechanism of bimolecular nucleophilic SN2 substitution and are barrier exothermic. Summary fusion reaction energy barrier of the phosphorinanes is equal to 674 kJ/mol and the reaction thermal reaction effect is 33 kJ/mol. © 2018, Scibulcom Ltd. All rights reserved.