Photonics of tetramethoxy-1,4-distyrylbenzene


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Abstract

Photonics of tetramethoxy-1,4-distyrylbenzene in MeCN was studied by absorption, luminescence, and laser kinetic spectroscopies. Photoinduced transformations of the compound in question involve cis–trans-isomerization, intersystem crossing, fast and delayed fluorescence, and electron transfer. The ground-state structure and vibrational spectrum, as well as the energies and structures of excited singlet and triplet states were calculated by the DFT/PBE and TDDFT/PBE0 methods. The assignment of vibronic bands in the absorption spectra was made and the energies of corresponding transitions were calculated.

About the authors

L. S. Atabekyan

Photochemistry Center, Russian Academy of Sciences, Federal Research Center “Crystallography and Photonics”, Russian Academy of Sciences

Author for correspondence.
Email: levat51@mail.ru
Russian Federation, 7a ul. Novatorov, Moscow, 119421

V. G. Avakyan

Photochemistry Center, Russian Academy of Sciences, Federal Research Center “Crystallography and Photonics”, Russian Academy of Sciences; Institute of Problems of Chemical Physics, Russian Academy of Sciences

Email: levat51@mail.ru
Russian Federation, 7a ul. Novatorov, Moscow, 119421; 1 prosp. Akad. Semenova, Chernogolovka, Moscow Region, 142432

V. N. Nuriev

Photochemistry Center, Russian Academy of Sciences, Federal Research Center “Crystallography and Photonics”, Russian Academy of Sciences; Department of Chemistry, M. V. Lomonosov Moscow State University

Email: levat51@mail.ru
Russian Federation, 7a ul. Novatorov, Moscow, 119421; Build. 3, 1 Leninskie Gory, Moscow, 119991

S. Z. Vatsadze

Photochemistry Center, Russian Academy of Sciences, Federal Research Center “Crystallography and Photonics”, Russian Academy of Sciences; Department of Chemistry, M. V. Lomonosov Moscow State University

Email: levat51@mail.ru
Russian Federation, 7a ul. Novatorov, Moscow, 119421; Build. 3, 1 Leninskie Gory, Moscow, 119991

S. P. Gromov

Photochemistry Center, Russian Academy of Sciences, Federal Research Center “Crystallography and Photonics”, Russian Academy of Sciences; Department of Chemistry, M. V. Lomonosov Moscow State University

Email: levat51@mail.ru
Russian Federation, 7a ul. Novatorov, Moscow, 119421; Build. 3, 1 Leninskie Gory, Moscow, 119991

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