Specific features of photoprocesses in molecules with a styryl group

Autor:	O. V. Timchenko, I. V. Sokolova
Rok vydání:	2013
Předmět:	Materials science Reaction rate constant Photoisomerization Group (periodic table) Relaxation (NMR) Molecule Twist Fluorescence Parametrization Molecular physics Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials
Zdroj:	Optics and Spectroscopy. 115:809-813
ISSN:	1562-6911 0030-400X
DOI:	10.1134/s0030400x13120175
Popis:	Rate constants of photophysical processes are calculated for molecules with a styryl group (stilbene (styrylbenzene), 4-trans-styrylbiphenyl, 4-trans-styrylterphenyl, and 1,4-distyrylbenzene) using an original method based on the theory of nonradiative transitions. The values for calculations are obtained using a software package based on the method of intermediate neglect of differential overlap with spectroscopic parametrization. The results make it possible to numerically estimate the molecular parameters and effect of substituents. Torsional and twist rotations are simulated in the fluorescence structure of trans-stilbene, and the effect of these rotations on the rates of photoprocesses is analyzed. The results additionally contribute to the interpretation of excitation-energy relaxation and photoisomerization of stilbene.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::88971903bebdad7ef49317aceda085fc https://doi.org/10.1134/s0030400x13120175 Zobrazit plný text záznamu Plný text ve formátu PDF