Int. J. Mol. Sci. 2009, 10(10), 4284-4289; doi:10.3390/ijms10104284
Article

Theoretical Study on Reactions of Triplet Excited State Thioxanthone with Indole

Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, China
* Author to whom correspondence should be addressed.
Received: 11 August 2009; in revised form: 10 September 2009 / Accepted: 25 September 2009 / Published: 30 September 2009
(This article belongs to the Special Issue Applications of Density Functional Theory)
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Abstract: In the present work, a theoretical study on the deactivation of triplet excited (T1) state thioxanthone (TX) by indole (INH) was performed, based on density functional theory calculations. Three feasible pathways, namely direct electron transfer from INH to T1 state TX, electron transfer followed by proton transfer from INH·+ to TX· , and H-atom transfer from nitrogen of INH to keto oxygen of T1 state TX, were proposed theoretically to be involved in T1 state TX deactivation by INH.
Keywords: thioxanthone; indole; triplet excited state; deactivation; quantum chemical calculation

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MDPI and ACS Style

Shen, L.; Ji, H.-F. Theoretical Study on Reactions of Triplet Excited State Thioxanthone with Indole. Int. J. Mol. Sci. 2009, 10, 4284-4289.

AMA Style

Shen L, Ji H-F. Theoretical Study on Reactions of Triplet Excited State Thioxanthone with Indole. International Journal of Molecular Sciences. 2009; 10(10):4284-4289.

Chicago/Turabian Style

Shen, Liang; Ji, Hong-Fang. 2009. "Theoretical Study on Reactions of Triplet Excited State Thioxanthone with Indole." Int. J. Mol. Sci. 10, no. 10: 4284-4289.

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