Regensburg 2013 – scientific programme
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O: Fachverband Oberflächenphysik
O 29: Organic/bio Molecules on Metal Surfaces III
O 29.5: Talk
Tuesday, March 12, 2013, 11:30–11:45, H38
Energetics of azobenzenes on noble metal surfaces — •Michael Schulze1, Reinhard Maurer2, Christopher Bronner1, Karsten Reuter2, and Petra Tegeder1,3 — 1Freie Universität Berlin, Fachbereich Physik — 2TU München, Theoretische Chemie — 3Ruprecht-Karls-Universität Heidelberg, Physikalisch-Chemisches Institut
Temperature programmed desorption measurements and density-functional theory (DFT) calculations have been employed, to investigate the adsorption properties, in particular the binding energies, of azobenzenes on noble metal surfaces. The studied systems are the unsubstituted azobenzene and tetra-tert-butyl-azobenzene (TBA) on Au(111) and Ag(111), respectively. The only photoisomerizing system out of the four, TBA/Au(111), has been found to be the one with the strongest binding energy. These findings are explained by the larger bending angle of the molecule and the energetic overlap and hence a hybridization of the highest occupied molecular orbital (HOMO) of TBA with the Au(111) d-bands, which has also been proposed in order to elucidate the excitation mechanism in the photoisomerization [1].
[1] Ch.Bronner, M. Schulze et al 2012 New J. Phys. 14 043023