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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

 and *
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 thioxanthone; indole; triplet excited state; deactivation; quantum chemical calculation
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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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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