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

Sören Bock, Oday A. Al-Owaedi, Samantha G. Eaves, David C. Milan, Mario Lemmer, Brian W. Skelton, Henrry M. Osorio, Richard J. Nichols, Simon J. Higgins, Pilar Cea, Nicholas J. Long, Tim Albrecht, Santiago Martín, Colin J. Lambert, Paul 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
JournalChemistry - A European Journal
Early online date16 Jan 2017
DOIs
Publication statusPublished - 10 Feb 2017

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Bearings (structural)
Organometallics
Molecules
Microscopes
Metals
Scanning
Gold
Electrodes
cyclo 3

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Bock, Sören ; Al-Owaedi, Oday A. ; Eaves, Samantha G. ; Milan, David C. ; Lemmer, Mario ; Skelton, Brian W. ; Osorio, Henrry M. ; Nichols, Richard J. ; Higgins, Simon J. ; Cea, Pilar ; Long, Nicholas J. ; Albrecht, Tim ; Martín, Santiago ; Lambert, Colin J. ; Low, Paul J. / Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups. In: Chemistry - A European Journal. 2017 ; pp. 2133-2143.
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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.",
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author = "S{\"o}ren Bock and Al-Owaedi, {Oday A.} and Eaves, {Samantha G.} and Milan, {David C.} and Mario Lemmer and Skelton, {Brian W.} and Osorio, {Henrry M.} and Nichols, {Richard J.} and Higgins, {Simon J.} and Pilar Cea and Long, {Nicholas J.} and Tim Albrecht and Santiago Mart{\'i}n and Lambert, {Colin J.} and Low, {Paul J.}",
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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, Martín, S, Lambert, CJ & Low, PJ 2017, 'Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups' Chemistry - A European Journal, pp. 2133-2143. https://doi.org/10.1002/chem.201604565

Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups. / Bock, Sören; Al-Owaedi, Oday A.; Eaves, Samantha G.; Milan, David C.; Lemmer, Mario; Skelton, Brian W.; Osorio, Henrry M.; Nichols, Richard J.; Higgins, Simon J.; Cea, Pilar; Long, Nicholas J.; Albrecht, Tim; Martín, Santiago; Lambert, Colin J.; Low, Paul J.

In: Chemistry - A European Journal, 10.02.2017, p. 2133-2143.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups

AU - Bock, Sören

AU - Al-Owaedi, Oday A.

AU - Eaves, Samantha G.

AU - Milan, David C.

AU - Lemmer, Mario

AU - Skelton, Brian W.

AU - Osorio, Henrry M.

AU - Nichols, Richard J.

AU - Higgins, Simon J.

AU - Cea, Pilar

AU - Long, Nicholas J.

AU - Albrecht, Tim

AU - Martín, Santiago

AU - Lambert, Colin J.

AU - Low, Paul J.

PY - 2017/2/10

Y1 - 2017/2/10

N2 - 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.

AB - 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.

KW - Contacting group

KW - Density functional calculation

KW - Organometallic chemistry

KW - Scanning tunneling microscopy

KW - Single-molecule conductors

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DO - 10.1002/chem.201604565

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JF - CHEMISTRY-A EUROPEAN JOURNAL

SN - 0947-6539

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