"The origin of ultrafast proton transfer: multidimensional wave packet motion vs. tunneling"C. Schriever, S. Lochbrunner, A. R. Ofial, and E. Riedle
Chem. Phys. Lett.502, 61 - 65 (2011)
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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