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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/6592

Title: Excited state proton transfer of 2-(2 '-pyridyl)benzimidazole: A computational study
Authors: PANDA, D
Keywords: coupled electron-transfer
density-functional theory
ab-initio
selective enhancement
salicylic-acid
slow dynamics
atom transfer
bacteriorhodopsin
implementation
photophysics
Issue Date: 2006
Publisher: ELSEVIER SCIENCE BV
Citation: CHEMICAL PHYSICS LETTERS, 422(4-6), 446-450
Abstract: This is a computational study of 2-(2'-pyridyl)benzimidazole (2PBI), which has experimentally been found to undergo an excited state proton transfer (ESPT) in the protonated form. In this Letter, the structures of the different forms of this fluorophore have been optimized and CIS calculations have been performed in order to investigate the corresponding excited states. The results help explain some of the experimental observations made earlier by our group as well as by others. (c) 2006
URI: http://dx.doi.org/10.1016/j.cplett.2006.02.094
http://dspace.library.iitb.ac.in/xmlui/handle/10054/6592
http://hdl.handle.net/10054/6592
ISSN: 0009-2614
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