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Vibrational Structure of a High-Resolution UV Absorption Spectrum of Benzaldehyde in the Gas Phaseстатья
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: 9 декабря 2020 г.
- Авторы: Koroleva L.A., Andriasov K.S., Koroleva A.V.
- Журнал: Russian Journal of Physical Chemistry A
- Том: 94
- Номер: 11
- Год издания: 2020
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 2265
- Последняя страница: 2271
- DOI: 10.1134/S0036024420110175
- Аннотация: Abstract—A high-resolution UV spectrum of benzaldehyde vapor is obtained in the region of 26600–28500 cm−1 at a high temperature (140°C). An analysis is performed of the permitted vibrational structure ofthe bands of n–π* transmission in the UV spectrum. It is found that the UV spectrum of benzaldehyde vaporsconsists of 60 absorption bands. The reliability of the frequencies of 0– transitions of torsional vibration inthe ground (S0) and excited (S1) electronic states is confirmed by their multiple repetition in the Deslandrestables (DTs) on the 0–0 band and the frequencies of vibration of the S1 state (cm–1): = 728, 1091, and 1315.The 0–0 band for benzaldehyde corresponds to 26 912.8 cm−1. The frequency of the torsional vibration of thismolecule (111.2 ± 0.4 cm−1) in the S0 state is determined, and the frequencies of transition of 0– torsionalvibrations in the S0 state are determined up to a high value of vibrational quantum number: = 7. The frequencyof the torsional vibrations of benzaldehyde (138.0 ± 0.4 cm−1) and that of the 0– transitions of torsionalvibration up to = 6 are also determined from the constructed DTs in analyzing the vibrational structureof the UV spectrum for the S1 state. Harmonic frequencies ωe and coefficients x11 of torsional vibrationanharmonicity are found for both electronic states. A total assignment of 60 bands of vibrational structure wascarried out.
- Добавил в систему: Королева Лидия Александровна