Dresden 2014 – scientific programme
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O: Fachverband Oberflächenphysik
O 27: Organic/bio Molecules on Metal Surfaces III
O 27.3: Talk
Tuesday, April 1, 2014, 11:00–11:15, TRE Phy
Gold-Adatom-Mediated Bonding and Molecular Orbital Redistribution in Metal-Organic Chains — •zechao yang1, martina corso1,2, christian lotze1, elena mena-osteritz3, peter bäuerle3, katharina j. franke1, and jose i. pascual1,2 — 1Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany — 2CIC nanoGune, 20018 Donostia-San Sebastián, Spain — 3Institute of Organic Chemistry II and Advanced Materials, University of Ulm, Germany
Dicyanovinyl-quinquethiophenes (DCV5T-Me2) is a prototype molecule for organic electronics. Here, we investigated the structural and electronic properties of DCV5T-Me2 molecules on Au(111) using low temperature scanning tunneling microscopy and atomic force microscopy. DCV5T-Me2 self-assembles in chains, stabilized by intercalated Au atoms. The spectroscopic fingerprint of the incorporation of Au adatoms is an energetic downshift of the lowest unoccupied molecular orbital of the molecules within the chains with respect to uncoordinated molecules due to metal-ligand hybridization. An asymmetric coordination of the molecule by gold atoms from only one side, leads to an asymmetric orbital shape along the molecule. It is attributed to a redistribution of charge over the molecule as a consequence of a localized coordination bond to the gold atom, as confirmed by density functional theory calculations. Our study demonstrates that one can manipulate molecular orbital alignments and distribution simultaneously within individual molecules by contacting metal atoms.