Charge Transport in Single Oligophenylene Molecular Wires with Different Anchoring Groups

0505251 - ÚFCH JH 2021 RIV CZ eng C - Conference Paper (international conference)
Hromadová, Magdaléna - Kolivoška, Viliam - Šebera, Jakub - Sebechlebská, Táňa - Gasior, Jindřich - Nováková Lachmanová, Štěpánka - Mészáros, G. - Lindner, M. - Mayor, M. - Valášek, M.
Charge Transport in Single Oligophenylene Molecular Wires with Different Anchoring Groups.
XXXIX. Moderní elektrochemické metody. Sborník přednášek. Ústí nad Labem: Best Servis, 2019 - (Navrátil, T.; Fojta, M.; Schwarzová, K.), s. 96-99. ISBN 978-80-905221-7-6.
[Moderní elektrochemické metody /39./. Jetřichovice (CZ), 20.05.2019-24.05.2019]
R&D Projects: GA ČR(CZ) GA18-04682S
Institutional support: RVO:61388955
Keywords : STM break junction * Tetraphenylmethane Tripodal anchor * Single molecule conductance
OECD category: Physical chemistry

This work compares single molecule conductance measurements of selected organic systems containing identical oligophenylene molecular wires and different tripodal anchoring groups. Single molecule conductance G was obtained by a scanning tunneling microscopy break junction technique complemented by theoretical calculations based on the density functional theory and non-equilibrium Green’s function formalism. Two molecules were compared where the same oligophenylene wire is connected to one of the electrodes via a tripod substituted on each leg by a thiol group either in the meta or para position. By combined experimental and theoretical analysis it was possible to confirm that single molecule conductance in the metal-molecule-metal junction of both molecules corresponds to a fully extended molecular wire, which is attached to one of the electrodes by all three thiolate bonds of the tripod. Experimental results confirmed that G value of meta-connected molecules is lower than that of para, whereas junction formation probability was higher for meta functionalization.
Permanent Link: http://hdl.handle.net/11104/0296735