Dresden 2017 – scientific programme
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O: Fachverband Oberflächenphysik
O 91: Nanostructures at Surfaces: Molecular Systems I
O 91.6: Talk
Thursday, March 23, 2017, 11:45–12:00, REC/PHY C213
Revealing an atomic nodal plane by LT-UHV-STM investigations on single benzylnaphthoic diimides — •René Ebeling1, Shigeru Tsukamoto2, Vasile Caciuc2, Nicolae Atodiresei2, Stefan Blügel2, Rainer Waser1, and Silvia Karthäuser1 — 1Forschungszentrum Jülich GmbH - (PGI-7), Jülich, Germany — 2Forschungszentrum Jülich GmbH - (PGI-1/IAS-1), Jülich, Germany
The LT-UHV-STM investigations presented here demonstrate the adsorption behavior and the exact geometry of single target molecules in orbital resolution on atomically flat surfaces of Pt(111). The conformation and the orbital symmetry of single molecules have been deduced. For this purpose N,N'-dibenzyl-naphthoic diimide (BNI), which consists of a large π-conjugated backbone and two phenyl-rings each connected with a methylene-linker to the central part, have been studied. According to the high resolution STM images, the naphthoic diimide backbone of the molecule adsorbs flat on the substrate while the two benzyl groups build one line together with the backbone and the atomic nodal plane can be identified located at the C atoms of the phenyl rings. That points to phenyl groups standing vertically with their phenyl plane on the substrate. The orbital symmetry of the HOMO and the LUMO identified by STM was compared to DFT based calculations on BNI in the gas phase and tunneling transmission calculations which take the 3-dimensional structure of the molecule into account. These calculations agree with the measurements and provide further evidence for the supposed structure of BNI on Pt(111).