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O: Fachverband Oberflächenphysik

O 20: Focus Session: Molecular Nanostructures on Surfaces: On-Surface Synthesis and Single-Molecule Manipulation I

O 20.5: Talk

Tuesday, March 19, 2024, 11:45–12:00, HE 101

High-Yield On-Surface Synthesis of Isokekulene Facilitated by Strong Molecule-Substrate Interaction — •Sabine Wenzel1, Qitang Fan2, Anja Haags1, Alexander Reichmann3, Larissa Egger3, Hans Kirschner4, Tim Naumann2, Simon Werner2, Tobias Vollgraff2, Jörg Sundermeyer2, Jose Martinez1, Felix Lüpke1, Xiaosheng Yang1, Dominik Brandstetter3, François C. Bocquet1, Christian Kumpf1, Georg Koller3, Alexander Gottwald3, Mathias Richter4, Michael Ramsey3, Peter Puschnig3, Serguei Soubatch1, F. Stefan Tautz1, and J. Michael Gottfried21Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich — 2Fachbereich Chemie, Philipps-Universität Marburg — 3Institute of Physics, University of Graz — 4Physikalisch-Technische Bundesanstalt (PTB), Berlin

Recent progress in on-surface synthesis has enabled the formation of novel aromatic molecules such as nanographenes, nanoribbons, and cycloarenes. Thereby, the choice of metal crystal and its surface termination can have a strong influence on the selectivity of the synthesis reaction. Here, we report the formation of the novel nonplanar cycloarene isokekulene on Cu(110) and compare it to the planar kekulene which forms on Cu(111) from the same precursor. Combining density functional theory, scanning tunneling microscopy with a CO-functionalized tip, and photoemission orbital tomography, we identify two adsorption configurations of isokekulene and reveal a strong molecule-substrate interaction including charge transfer, which account for the more favorable energetics of isokekulene on Cu(110).

Keywords: on-surface synthesis; scanning tunneling microscopy; density functional theory; photoemission orbital tomography; molecule-substrate interaction

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