Modeling the kinetics of ultrafast charge separation and charge recombination in excited zinc-porphyrins derivetes
Автор: Rogozina Marina Viktorovna, Ionkin Vladimir Nikolaevich, Ivanov Anatoliy Ivanovich
Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu
Рубрика: Химическая физика
Статья в выпуске: 1 (16), 2012 года.
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The intramolecular charge separation from the second singlet excited state of Zn-porphyrin derivatives and subsequent charge recombination into the first singlet excited state have been explored. In the framework of the model considered the influence of the medium reorganization energy and dynamic properties of the solvent on the yield of products are investigated. Simulations of the chargeseparated state population dynamics allow reproducing the experimentally observed features of the kinetics in Zn-porphyrin derivatives
Second excited state, photoinduced electron transfer, nonthermal transitions, solvent relaxation, molecular switch
Короткий адрес: https://sciup.org/14968706
IDR: 14968706