Berlin 2014 – scientific programme
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MO: Fachverband Molekülphysik
MO 5: Posters 1: Electronic Spectroscopy, Photochemistry, Femtosecond Spectroscopy
MO 5.21: Poster
Monday, March 17, 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(mtMe)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)