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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 6: Poster Session II

CPP 6.7: Poster

Dienstag, 28. September 2021, 17:30–19:30, P

STM and DFT study of BF4 anion migration on a triazatriangulenium SAM on Au(111) — •Sergii Snegir¹, Yannick Dappe², Dmytro Sysoiev³, Olivier Pluchery⁴, Thomas Huhn¹, and Elke Scheer¹ — ¹University of Konstanz, Konstanz, Germany — ²SPEC, University Paris-Saclay, France — ³I. Org. Chem. & Biochem., Prague — ⁴INSP, Sorbonne University, France

Chemical coupling of functional molecules with so-called platforms allows the formation of functional Self-Assembled Monolayer (SAM). An example is triazatriangulenium (TATA), with an extended aromatic core, allowing the formation of good electronic contact with the metal surface. Here we present studies on SAMs of TATA-BF4 molecules on Au(111) by means of Scanning Tunneling Microscopy (STM) and Density Functional Theory (DFT). In solution, these molecules exist as ion pairs of TATA+ and BF4-. However, under electrochemical deposition on Au(111), on the TATA+ cations formed SAMs the BF4- anions seemingly disappear. Our STM experiments reveal dissociation of the TATA-BF4 complex1. The TATA+ remains stable within the SAM while the BF4- spontaneously migrates through the TATA SAM on the surface. DFT calculations show a reduction of the TATA-BF4 binding energy after deposition. 1.S.Snegir, Y. J.Dappe, D.Sysoiev, O.Pluchery, T.Huhn, E.Scheer, PCCP 2021, 23, 9930 - 9937.