Density functional theory study of the photosensitization mechanisms of indigo |
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Authors: | Hong-Fang Ji Liang Shen |
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Institution: | (1) 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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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.
![MediaObjects/11532_2009_44_Fig1_HTML.jpg](/content/427612tq11327686/MediaObjects/11532_2009_44_Fig1_HTML.jpg) |
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Keywords: | Indigo Triplet excited state Photosensitization mechanisms Singlet oxygen Density functional theory |
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