Отправить статью по E-mail Polarity and structure of P(X)-modified (X = O, S) arylcarbamoylmethylphosphine oxides and sulfides
- Авторы: Vereshchagina Y.A.1, Khanafieva R.R.1, Chachkov D.V.2, Artyushin O.I.3, Sharova E.V.3, Ishmaeva E.A.1
-
Учреждения:
- Kazan (Volga region) Federal University
- Kazan Branch, Joint Supercomputer Center
- Nesmeyanov Institute of Organoelement Compounds
- Выпуск: Том 52, № 10 (2016)
- Страницы: 1413-1418
- Раздел: Article
- URL: https://journal-vniispk.ru/1070-4280/article/view/215025
- DOI: https://doi.org/10.1134/S1070428016100079
- ID: 215025
Цитировать
Открытый доступ
Доступ предоставлен
Только для подписчиков
Аннотация
As shown by the dipole moment method and quantum chemical calculations, (arylcarbamoylmethyl) diphenylphosphine oxides and sulfides exist as equilibrium mixtures of several rotational isomers stabilized by H · · · X intramolecular hydrogen bonds (X = O, S). The most energetically favorable rotamer and its fraction have been determined for each compound.
Об авторах
Ya. Vereshchagina
Kazan (Volga region) Federal University
Автор, ответственный за переписку.
Email: yavereshchagina@yahoo.com
Россия, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
R. Khanafieva
Kazan (Volga region) Federal University
Email: yavereshchagina@yahoo.com
Россия, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
D. Chachkov
Kazan Branch, Joint Supercomputer Center
Email: yavereshchagina@yahoo.com
Россия, ul Lobachevskogo 2/31, Kazan, Tatarstan, 420111
O. Artyushin
Nesmeyanov Institute of Organoelement Compounds
Email: yavereshchagina@yahoo.com
Россия, ul. Vavilova 28, Moscow, 119991
E. Sharova
Nesmeyanov Institute of Organoelement Compounds
Email: yavereshchagina@yahoo.com
Россия, ul. Vavilova 28, Moscow, 119991
E. Ishmaeva
Kazan (Volga region) Federal University
Email: yavereshchagina@yahoo.com
Россия, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
Дополнительные файлы
