Hannover 2013 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 28: Photochemistry

MO 28.1: Hauptvortrag

Freitag, 22. März 2013, 11:00–11:30, F 102

Combined IR/IR/UV spectroscopy to analyze structures and proton transfer reactions in different electronic states — •Markus Gerhards — TU Kaiserslautern, Fachbereich Chemie, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern

Photochemically induced reactions like proton transfer reactions or proton wires are of great interest due to their importance in chemical and biological processes. Mass selective molecular beam investigations combined with isomer selective double, triple and quadruple resonance combined IR/UV spectroscopic techniques are very powerful tools to analyze the photochemically induced reactions. In comparison with (TD)-DFT calculations direct structural information on the electronic ground and electronically excited states of isolated molecules and clusters are obtained. The applications to different chromone and flavonoid based photoreactive species are presented including the first IR/IR application to an isolated proton wire in the gas phase (the doubly hydrated 3-hydroxyflavone molecule). In general the IR/IR/UV techniques (including the new introduced IR/UV/IR/UV method) applied on isolated species offer the possibility to yield isomer selection and structural assignments in electronic ground and also excited states of reactive systems especially in the case of overlapping isomers with the same electronic excitation energies. The great potential of IR/IR double resonance techniques is described.