Berlin 2014 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 10: Posters 2: Biomolecules, Energy Transfer, Clusters, Quantum Chemistry, Molecular Dynamics and Chirality

MO 10.14: Poster

Dienstag, 18. März 2014, 16:30–18:30, Spree-Palais

Structural investigations on isolated 7-hydroxy-4-methyl-coumarin aggregates in different electronic states by combined IR/UV spectroscopy — •Anke Stamm, Martin Weiler, Kirsten Schwing, and Markus Gerhards — Physikalische Chemie, TU Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern

Coumarin and its derivatives are well known for their photo-induced reactivity leading to their importance as photobiological and photochemical substances. 7-Hydroxy-4-methylcoumarin (7H4MC) for example was the first industrially used optical brightener. Thus the structural analysis of such photoreactive substances is of high scientific interest. For this purpose the application of combined double and triple resonance IR/UV methods in a molecular beam experiment is performed. These experimental techniques in combination with DFT calculations represent and ideal tool to investigate intrinsic structural preferences and rearrangements in the neutral electronic ground (S₀), excited state (S₁) as well as in the ionic ground state (D₀). The focus of the results presented here is on the tetra-, penta- and hexahydrate of 7H4MC which are of importance regarding the influence of a biologically relevant solvent shell on the photochemical behavior. Additionally, studies on the dimer of 7H4MC as well as its mono- and dihydrate are illustrated.