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- W4328105042 abstract "We theoretically study the triplet formation dynamics of tautomers associated with the excited-state intramolecular proton transfer of 3-sulfanylchromen-4-one (3-SC). The S1-T3 intersystem crossing pathway is expected to compete with the intramolecular thiol proton transfer upon photoexciting the normal tautomer (parent molecule) to its S1 state. The triplet formation via the S1′-T2′ intersystem crossing tends to be the dominant nonradiative process in the proton-transferred tautomer. The wavepacket transfer to the respective accessible receiver triplet state is more pronounced in the proton-transferred tautomer than its parent tautomer, implying an efficient triplet formation followed by the proton transfer via S1 in 3-SC." @default.
- W4328105042 created "2023-03-22" @default.
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- W4328105042 date "2023-07-01" @default.
- W4328105042 modified "2023-10-13" @default.
- W4328105042 title "Triplet state generation followed by the excited-state intramolecular proton transfer in 3-sulfanylchromen-4-one" @default.
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- W4328105042 doi "https://doi.org/10.1016/j.jphotochem.2023.114700" @default.
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