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- W2031232007 abstract "Abstract Electronic structure and singlet–singlet and triplet–triplet absorption spectra of 3-ethyl-lumiflavin were calculated using time-dependent density functional theory (TD-DFT) methods. The measured lower-energy transitions are well reproduced in calculations, which are limited by the neglect of the solvent interactions. All the observable singlet–singlet and triplet–triplet transitions have π–π * character. Singlet oxygen production by the studied compound demonstrated that, similar to other lumiflavins, it is an efficient singlet oxygen sensitizer ( ϕ Δ = 0.55). Radiationless deactivation of the S 1 state in solutions was shown to result in the T 1 state formation." @default.
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- W2031232007 date "2005-03-01" @default.
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- W2031232007 title "Spectroscopy and photophysics of flavin-related compounds: 3-ethyl-lumiflavin" @default.
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- W2031232007 doi "https://doi.org/10.1016/j.jphotochem.2004.08.022" @default.
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