Single-molecule conductance studies of organometallic complexes bearing 3-thienyl contacting groups

S. Bock, O.A. Al-Owaedi, S.G. Eaves, D.C. Milan, M. Lemmer, B.W. Skelton, H.M. Osorio, R.J. Nichols, S.J. Higgins, P. Cea, N.J. Long, T. Albrecht, S. Martín, C.J. Lambert, P.J. Low

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Abstract

The compounds and complexes 1,4‐C6H4(C≡C‐cyclo ‐3‐C4H3S)2 (2), trans ‐[Pt(C≡C‐cyclo ‐3‐C4H3S)2(PEt3)2] (3 ), trans ‐[Ru(C≡C‐cyclo ‐3‐C4H3S)2(dppe)2] (4 ; dppe=1,2‐bis(diphenylphosphino)ethane) and trans ‐[Ru(C≡C‐cyclo ‐3‐C4H3S)2{P(OEt)3}4] (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 .
Original languageEnglish
Pages (from-to)2133-2143
Number of pages11
JournalChemistry - A European Journal
Volume23
Issue number9
Early online date29 Nov 2016
DOIs
Publication statusPublished - 10 Feb 2017

Keywords

  • contacting group
  • density functional calculation
  • organometallic chemistry
  • scanning tunneling microscopy
  • single-molecule conductors

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