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Open Chemistry

formerly Central European Journal of Chemistry


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Volume 7, Issue 3

Issues

Volume 13 (2015)

Density functional theory study of the photosensitization mechanisms of indigo

Hong-Fang Ji
  • Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo, 255049, P. R. China
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/ Liang Shen
  • Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo, 255049, P. R. China
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Published Online: 2009-06-21 | DOI: https://doi.org/10.2478/s11532-009-0044-9

Abstract

The triplet excited state properties and photosensitization mechanisms of indigo were investigated based on density functional theory calculations. The solvent effects on the photosensitization mechanisms of indigo have also been considered. The thermodynamic feasibility of the possible 1O2 and O2·−-photogeneration pathways by triplet excited state indigo in different solvents was explored, in order to gain some deeper insights into the photosensitization characters of the dye.

Keywords: Indigo; Triplet excited state; Photosensitization mechanisms; Singlet oxygen; Density functional theory

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About the article

Published Online: 2009-06-21

Published in Print: 2009-09-01


Citation Information: Open Chemistry, Volume 7, Issue 3, Pages 505–507, ISSN (Online) 2391-5420, DOI: https://doi.org/10.2478/s11532-009-0044-9.

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© 2009 Versita Warsaw. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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