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Schriever, Christian, Lochbrunner, Stefan, Ofial, Armin R. and Riedle, Eberhard ORCID logoORCID: https://orcid.org/0000-0002-2672-5718 (February 2011): The origin of ultrafast proton transfer: Multidimensional wave packet motion vs. tunneling. In: Chemical Physics Letters, Vol. 503, No. 1-3: pp. 61-65

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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.

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