Berlin 2014 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 5: Posters 1: Electronic Spectroscopy, Photochemistry, Femtosecond Spectroscopy

MO 5.21: Poster

Montag, 17. März 2014, 16:30–18:30, Spree-Palais

Photophysics of a Trinuclear Palladium Complex: Experiment and Theory — •1 Florian Bäppler¹, Patrick Singer¹, Benedikt Burgard¹, Fabian Rupp¹, 1 Yvonne Schmitt², Markus Becherer², Anneken Grün², Anouk M. Rijs³, Florian Walz⁴, Frank Breher⁴, Wim Klopper⁵, Rolf Diller¹, and Markus Gerhards² — ¹Dept. of Phys. — ²Dept. of Chem., TU Kaiserslautern, 67663 Kaiserslautern — ³Faculty of Science, Radboud University Nijmegen, 6525 Nijmegen, The Netherlands — ⁴Inst. of Inorg. Chem., KIT — ⁵Inst. of Phys. Chem., KIT, 76131 Karlsruhe

A detailed knowledge of the involved excited states of metal complexes is essential for the manipulation or optimization of various functional properties. Important factors are their electronic distribution, molecular geometries, and pathways for relaxation and deactivation. Here we present a detailed theoretical and spectroscopic study on the electronically excited states of a trinuclear palladium complex in both gas phase and solution. The application of DFT and TDDFT methods as well as a variety of spectroscopic methods to the chosen complex [Pd₃{Si(mt^Me)₃}₂] leads to the first detailed analysis of the photophysics of a symmetric trinuclear complex. In combination with the calculations, energies, structures and lifetimes of the excited electronic states are characterized by applying the Resonant-2-Photon-Ionization method in a molecular beam experiment as well as luminescence, time-correlated single photon counting and excited state femtosecond absorption spectroscopy in solution. (1 = presenting authors)