title: Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations.
abstract: The photo-physics and -chemistry of indoles are known to be highly complex and strongly dependent on their precise molecular structure and environment. Combination of spectroscopic analysis with quantum chemical calculations should be a powerful tool to unravel precise excited state deactivation mechanisms. At the same time, combined studies are seldom and likely far from trivial. In this work we explore the feasibility of combining spectroscopic and quantum-chemical data into one consistent model. The molecule of choice is indole-2-carboxylic acid (ICA) in aqueous media. Excited state dynamics are determined by time-resolved fluorescence experiments, while excited state reaction pathways of ICA-H(2)O clusters are explored by ab initio calculations.
authors.affiliation: Department of Chemical Physics, Lund University, Box 124, 22100 Lund, Sweden.
authors.forename: Annemarie
authors.initials: A
authors.lastname: Huijser
authors.forename: Michał F
authors.initials: MF
authors.lastname: Rode
authors.forename: Alice
authors.initials: A
authors.lastname: Corani
authors.forename: Andrzej L
authors.initials: AL
authors.lastname: Sobolewski
authors.forename: Villy
authors.initials: V
authors.lastname: Sundström