The origin of ultrafast proton transfer: Multidimensional wave packet motion vs. tunneling

Schriever, Christian; Lochbrunner, Stefan; Ofial, Armin R. und Riedle, Eberhard (Februar 2011): The origin of ultrafast proton transfer: Multidimensional wave packet motion vs. tunneling. In: Chemical Physics Letters, Bd. 503, Nr. 1-3: S. 61-65

Abstract

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.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Physik
• Themengebiete: 500 Naturwissenschaften und Mathematik > 530 Physik
• ISSN: 0009-2614
• Sprache: Englisch