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Triplet excited state characters and photosensitization mechanisms of α-terthienyl: A theoretical study

Paper ID Volume ID Publish Year Pages File Format Full-Text
30906 44513 2009 3 PDF Available
Title
Triplet excited state characters and photosensitization mechanisms of α-terthienyl: A theoretical study
Abstract

The triplet excited (T1) state characters of α-terthienyl (α-T) have been investigated using density functional theory calculations, based on which, its photosensitization mechanisms were explored. Primarily, the direct oxidation to the DNA bases by the T1 state α-T through the electron transfer is not thermodynamically feasible. Secondly, 1O2 can be photogenerated both in benzene and water through the direct energy transfer from the T1 state α-T to 3O2, while O2- can only be formed in water through the electron transfer from the T1 state α-T or α-T− to 3O2.

Keywords
α-Terthienyl; Triplet excited state; Photosensitization mechanisms; Reactive oxygen species; Density functional theory
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Triplet excited state characters and photosensitization mechanisms of α-terthienyl: A theoretical study
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Publisher
Database: Elsevier - ScienceDirect
Journal: Journal of Photochemistry and Photobiology B: Biology - Volume 94, Issue 1, 9 January 2009, Pages 51–53
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Bioengineering
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
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Any Questions? feel free to contact us