کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9605706 44092 2005 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Spectroscopy and photophysics of flavin-related compounds: 3-ethyl-lumiflavin
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی بیو مهندسی (مهندسی زیستی)
پیش نمایش صفحه اول مقاله
Spectroscopy and photophysics of flavin-related compounds: 3-ethyl-lumiflavin
چکیده انگلیسی
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 (ϕΔ = 0.55). Radiationless deactivation of the S1 state in solutions was shown to result in the T1 state formation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 170, Issue 3, 31 March 2005, Pages 267-272
نویسندگان
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