Photonics of tetramethoxy-1,4-distyrylbenzene
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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.
Key wordsdelayed fluorescence triplet state trans–cis-photoisomerization electron transfer
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- 10.L. S. Atabekyan, A. K. Chibisov, M. V. Alflmov, High Energy Chem., 1997, 31, 344.Google Scholar
- 11.M. Montalti, A. Credi, L. Prodi, M. T. Gandolfi, Handbook of Photochemistry, London, 2006, Taylor and Fransis, p. 574.Google Scholar
- 16.F. Neese, The ORCA Program System, Wiley Interdiscip. Rev.: Comput. Mol. Sci., 2012, 2, 73.Google Scholar
- 17.A. Schaefer, H. Horn, R. J. Ahlrichs, Chem. Phys., 1992, 97, 2571.Google Scholar
- 18.R. N. Nurmukhametov, Pogloshchenie i lyuminestsentsiya aromaticheskikh soedineniy [Absorption and Luminescence of Aromatic Compounds], Khimiya, Moscow, 1971, 280 pp. (in Russian).Google Scholar
- 19.B. N. Tarasevich, IK-spektry osnovnykh klassov organicheskikh soedineniy. Spravochnye materially [IR Spectra of Main Classes of Organic Compounds. A Handbook], Moscow, Izd-vo MGU, 2012, 55 pp. (in Russian).Google Scholar
- 20.D. P. Craig, I. G. Ross, Reprint Order No. 4818, 1954, 1589.Google Scholar