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The vibrational structure of the UV spectrum and the internal rotation potential function of the beta,beta-dimethylacrolein moleculeстатья
Информация о цитировании статьи получена из
Web of Science
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 27 мая 2015 г.
- Авторы: Koroleva L.A., Ivannikova V.V., Tyulin V.I., Matveev V.K., Pentin Y.A.
- Журнал: Russian Journal of Physical Chemistry A
- Том: 78
- Номер: 2
- Год издания: 2004
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 255
- Последняя страница: 260
- Аннотация: The vibrational structure of the UV spectrum of beta,beta-dimethylacrolein was analyzed to construct the Deslandres tables for the trans and cis isomers of this molecule. The torsional levels were determined up to nu" = 5 for both isomers in the around state and up to V = 5 and 2 for the trans and cis isomers, respectively, in the excited electronic state (S-1). The harmonic frequencies and anharmonicity coefficients of torsional vibrations were calculated for both isomeric forms in the S-0 and S-1 states. The experimental torsional levels of both isomeric forms, the experimental energy differences, and the geometric parameters obtained in quantum-mechanical calculations were used to calculate the V-n parameters of the V(phi) potential function in both electronic states of the isomers.
- Добавил в систему: Королева Лидия Александровна