期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 23, 期 9, 页码 2133-2143出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201604565
关键词
contacting group; density functional calculation; organometallic chemistry; scanning tunneling microscopy; single-molecule conductors
资金
- Ministry of Higher Education and Scientific Research of Iraq
- EU through the FP7 ITN MOLESCO [212942]
- EPSRC [EP/N017188/1, EP/M014452/1, EP/N03337X/1, EP/N032977/1, EP/H035184/1, EP/K007785/1]
- ARC [FT120100073, DP140100855, LE15100148]
- University of Western Australia
- University, State and Commonwealth Governments
- Leverhulme Trust [RPG 2012-754, RPG 2014-225]
- Ministerio de Educacion (Ecuador)
- Ministerio de Economia y Competitividad from Spain
- fondos FEDER [CTQ2012-33198, CTQ2013-50187-EXP]
- DGA
- EPSRC [EP/K039687/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/K039687/1] Funding Source: researchfish
The compounds and complexes 1,4-C6H4(C Ccyclo-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-3C(4)H(3)S) (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.
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