Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups



Bock, Soren, Al-Owaedi, Oday A, Eaves, Samantha G, Milan, David C ORCID: 0000-0002-2077-7920, Lemmer, Mario, Skelton, Brian W, Osorio, Henrry M, Nichols, Richard J ORCID: 0000-0002-1446-8275, Higgins, Simon J ORCID: 0000-0003-3518-9061, Cea, Pilar
et al (show 5 more authors) (2017) Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups. CHEMISTRY-A EUROPEAN JOURNAL, 23 (9). pp. 2133-2143.

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Abstract

The compounds and complexes 1,4-C<sub>6</sub> H<sub>4</sub> (C≡C-cyclo-3-C<sub>4</sub> H<sub>3</sub> S)<sub>2</sub> (2), trans-[Pt(C≡C-cyclo-3-C<sub>4</sub> H<sub>3</sub> S)<sub>2</sub> (PEt<sub>3</sub> )<sub>2</sub> ] (3), trans-[Ru(C≡C-cyclo-3-C<sub>4</sub> H<sub>3</sub> S)<sub>2</sub> (dppe)<sub>2</sub> ] (4; dppe=1,2-bis(diphenylphosphino)ethane) and trans-[Ru(C≡C-cyclo-3-C<sub>4</sub> H<sub>3</sub> S)<sub>2</sub> {P(OEt)<sub>3</sub> }<sub>4</sub> ] (5) featuring the 3-thienyl moiety as a surface contacting group for gold electrodes have been prepared, crystallographically characterised in the case of 3-5 and studied in metal|molecule|metal junctions by using both scanning tunnelling microscope break-junction (STM-BJ) and STM-I(s) methods (measuring the tunnelling current (I) as a function of distance (s)). The compounds exhibit similar conductance profiles, with a low conductance feature being more readily identified by STM-I(s) methods, and a higher feature by the STM-BJ method. The lower conductance feature was further characterised by analysis using an unsupervised, automated multi-parameter vector classification (MPVC) of the conductance traces. The combination of similarly structured HOMOs and non-resonant tunnelling mechanism accounts for the remarkably similar conductance values across the chemically distinct members of the family 2-5.

Item Type: Article
Uncontrolled Keywords: contacting group, density functional calculation, organometallic chemistry, scanning tunneling microscopy, single-molecule conductors
Depositing User: Symplectic Admin
Date Deposited: 18 Jul 2017 10:26
Last Modified: 19 Jan 2023 06:59
DOI: 10.1002/chem.201604565
Related URLs:
URI: https://livrepository.liverpool.ac.uk/id/eprint/3008533