Hannover 2013 – scientific programme

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MO: Fachverband Molekülphysik

MO 14: Poster 1: Cluster, Femtosecond Spectroscopy

MO 14.4: Poster

Tuesday, March 19, 2013, 16:00–18:30, Empore Lichthof

A simple model for the relaxation dynamics in perylene-bisimide dimers excited by femtosecond laser pulses — •Martin Keß¹, Alexander Schubert¹, Volker Settels¹, Bernd Engels¹, Frank Würthner², Stefan Lochbrunner³, Christoph Meier⁴, and Volker Engel¹ — ¹Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Emil-Fischer-Str. 42, Am Hubland, 97074 Würzburg, Germany — ²Institut für Organische Chemie, Universität Würzburg, Am Hubland, 97074 Würzburg, Germany — ³Institut für Physik, Universität Rostock, Universitätsplatz 3, Germany — ⁴Laboratoire Collisions, Agrégats et Reactivité, IRSAMC, Université Paul Sabatier, 31062 Toulouse, France

We evaluate a model for the self-trapping dynamics in perylene-bisimide dimers. Adiabatic potential energy curves and charge-transfer characters determined from ab-initio electronic structure computations are employed to establish a diabatic model for the quantum dynamics along an effective deformational mode. It is then possible to characterize the fast de-population of the state, accessed in the femtosecond preparation process. The influence of the laser parameters and the dissipation rate on the decay dynamics is studied in detail. The results are in excellent agreement with transient absorption measurements.