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

doi:10.1002/chem.201604565

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 language	English
Pages (from-to)	2133-2143
Number of pages	11
Journal	Chemistry - A European Journal
Volume	23
Issue number	9
Early online date	16 Jan 2017
DOIs	https://doi.org/10.1002/chem.201604565
Publication status	Published - 10 Feb 2017

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Bock, S., Al-Owaedi, O. A., Eaves, S. G., Milan, D. C., Lemmer, M., Skelton, B. W., Osorio, H. M., Nichols, R. J., Higgins, S. J., Cea, P., Long, N. J., Albrecht, T., Martín, S., Lambert, C. J., & Low, P. J. (2017). Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups. Chemistry - A European Journal, 23(9), 2133-2143. https://doi.org/10.1002/chem.201604565

@article{d077d2420ae94dc0ba3f20495cf22d08,

title = "Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups",

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.",

keywords = "Contacting group, Density functional calculation, Organometallic chemistry, Scanning tunneling microscopy, Single-molecule conductors",

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.}",

year = "2017",

month = feb,

day = "10",

doi = "10.1002/chem.201604565",

language = "English",

volume = "23",

pages = "2133--2143",

journal = "Chemistry - A European Journal",

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number = "9",

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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, vol. 23, no. 9, pp. 2133-2143. https://doi.org/10.1002/chem.201604565

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

UR - http://www.scopus.com/inward/record.url?scp=85009773888&partnerID=8YFLogxK

U2 - 10.1002/chem.201604565

DO - 10.1002/chem.201604565

M3 - Article

C2 - 27897344

AN - SCOPUS:85009773888

SN - 0947-6539

VL - 23

SP - 2133

EP - 2143

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 9

ER -

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

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From the Electronics of Molecules to Molecular Electronics

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

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From the Electronics of Molecules to Molecular Electronics

From Beaker to Bit: New Platforms for Molecular Electronics

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