期刊
CHEMICAL PHYSICS LETTERS
卷 503, 期 1-3, 页码 61-65出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2010.12.087
关键词
-
资金
- German Science Foundation [SFB 749]
We investigate the reaction kinetics of ultrafast excited state intramolecular proton transfer (ESIPT) and discuss the possible origins of the process: tunneling of the reactive proton, vibrationally enhanced tunneling, and multidimensional wave packet dynamics of the entire system. Comparison of the measured kinetics for the protonated and the deuterated form of 2-(2'-hydroxyphenyl) benzothiazole (HBT) to numerical simulations allows us to ascribe the characteristic 50 fs time found for the ESIPT solely to a ballistic wave packet motion along skeletal coordinates that mainly affect the donor acceptor distance. Tunneling is not found to be decisive. (C) 2011 Elsevier B. V. All rights reserved.
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