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

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Title: Single-molecule conductance studies of organometallic complexes bearing 3-thienyl contacting groups
Authors: Bock, S
Al-Owaedi, OA
Eaves, SG
Milan, DC
Lemmer, M
Skelton, BW
Osorio, HM
Nichols, RJ
Higgins, SJ
Cea, P
Long, NJ
Albrecht, T
Martin, S
Lambert, CJ
Low, PJ
Item Type: Journal Article
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.
Issue Date: 16-Jan-2017
Date of Acceptance: 29-Nov-2016
URI: http://hdl.handle.net/10044/1/45422
DOI: https://dx.doi.org/10.1002/chem.201604565
ISSN: 0947-6539
Publisher: Wiley
Start Page: 2133
End Page: 2143
Journal / Book Title: Chemistry - A European Journal
Volume: 23
Issue: 9
Copyright Statement: © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
Keywords: Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
contacting group
density functional calculation
organometallic chemistry
scanning tunneling microscopy
single-molecule conductors
EFFECTIVE CORE POTENTIALS
ELECTRON-TRANSPORT
CHARGE-TRANSPORT
METAL-COMPLEXES
RUTHENIUM(II) COMPLEXES
QUANTUM INTERFERENCE
LENGTH DEPENDENCE
ANCHORING GROUPS
LEVEL ALIGNMENT
JUNCTIONS
contacting group
density functional calculation
organometallic chemistry
scanning tunneling microscopy
single-molecule conductors
General Chemistry
03 Chemical Sciences
Publication Status: Published
Appears in Collections:Chemistry
Catalysis and Advanced Materials
Faculty of Natural Sciences



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