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Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity†
Luis Gutiérrez-Arzaluz,Fernando Cortés-Guzmán,Tomás Rocha-Rinza,Jorge Peón
Physical Chemistry Chemical Physics Pub Date : 08/06/2015 00:00:00 , DOI:10.1039/C5CP03699B
Abstract

We investigated two important unresolved issues on excited state intramolecular proton transfer (ESIPT) reactions, i.e., their driving force and the charge state of the transferred species by means of quantum chemical topology. We related changes in the aromaticity of a molecule after electron excitation to reaction dynamics in an excited state. Additionally, we found that the conveyed particle has a charge intermediate between that of a bare proton and a neutral hydrogen atom. We anticipate that the analysis presented in this communication will yield valuable insights into ESIPT and other similar photochemical reactions.

Graphical abstract: Ultrafast excited state hydrogen atom transfer in salicylideneaniline driven by changes in aromaticity
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