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Internal rotation potential functions of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic statesстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 23 декабря 2020 г.
- Авторы: Koroleva L.A., Tyulin V.I., Matveev V.K., Pentin Yu A.
- Журнал: Journal of Structural Chemistry
- Том: 56
- Номер: 1
- Год издания: 2015
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 27
- Последняя страница: 33
- DOI: 10.1134/S0022476615010059
- Аннотация: Abstract Structural parameters of trans- and cis-isomers of an acryloyl fluoride molecule in the ground (S 0) and excited (S 1) electronic states are determined. The F(φ) function is expanded into the Fourier series. The internal rotation potential functions (IRPFs) of acryloyl fluoride in both electronic states are derived. To this end, torsional vibrational transition frequencies of both isomers of this molecule were used, which were obtained from the analysis of the vibrational structure Щf a high resolution UV spectrum of acryloyl fluoride vapor with regard to the geometry and energy difference (ΔH) of the isomers. The IRPF parameters V n of this molecule in the (S 0) state, which were derived based on the transition frequencies of torsional vibrations from the vibrational structure of the high resolution UV spectrum and the IR Fourier spectrum coincided.
- Добавил в систему: Королева Лидия Александровна