Intramolecular photo‑driven charge transfer in a series of pyridyl substituted phenyloxazoles. Structural relaxation in meta‑substituted ethylpyridinium derivative of phenyloxazole

Volchkov, V.V.; Khimich, M.N.; Rusalov, M.V.; Gostev, F.E.; Shelaev, I.V.; Nadtochenko, V.A.; Kuzmin, V.A.; Kostyukov, A.A.; Egorov, A.E.; Melnikov, M.Y.

Авторы: Volchkov Valery V., Khimich Mikhail N., Rusalov Mikhail V., Gostev Fedor E., Shelaev Ivan V., Nadtochenko Victor A., Kuzmin Vladimir A., Kostyukov Alexey A., Egorov Anton E., Melnikov Mikhail Ya
Журнал: Photochemical and Photobiological Sciences
Том: 20
Год издания: 2021
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
Первая страница: 1419
Последняя страница: 1428
DOI: 10.1007/s43630-021-00103-0
Аннотация: A series of pyridyl (pyridinium) substituted benzoxazoles were studied by steady state absorption, fuorescence spectroscopy, time-resolved fuorescence spectroscopy, fs pulse absorption and polarization spectroscopy, and quantum–chemical calculations. The spectral and kinetic parameters of the fuorophores in MeCN and EtOAc were obtained experimentally and were calculated by means of DFT and TDDFT methods. A scheme including four transient excited states was proposed for the interpretation of diferential absorption kinetics of the charged fuorophores. Expressions describing the actual kinetics graphs, the decay associated spectra, and the species-associated spectra were derived. The charge shift step was found to be dependent on average solvation times. A charge shift followed by the formation of the twisted conformer was found for the excited 1-ethyl-3-(5-phenyloxazol-2-yl)pyridinium 4-methyl-1-benzenesulfonate in MeCN and EtOAc. Conformational analysis confrms a large amplitude motion of the meta-substituted ethylpyridinium group as an additional structural relaxation path producing an abnormally large fuorescence Stokes shift.
Добавил в систему: Мельников Михаил Яковлевич

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Intramolecular photo‑driven charge transfer in a series of pyridyl substituted phenyloxazoles. Structural relaxation in meta‑substituted ethylpyridinium derivative of phenyloxazoleстатья

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