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

doi:10.1002/chem.201604565

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

Chemistry

Research output: Contribution to journal › Article › peer-review

31 Citations (Scopus)

233 Downloads (Pure)

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	29 Nov 2016
DOIs	https://doi.org/10.1002/chem.201604565
Publication status	Published - 10 Feb 2017

Keywords

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

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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{a133d15a2366427e86300c72391ace8d,

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. Bock and O.A. Al-Owaedi and S.G. Eaves and D.C. Milan and M. Lemmer and B.W. Skelton and H.M. Osorio and R.J. Nichols and S.J. Higgins and P. Cea and N.J. Long and T. Albrecht and S. Mart{\'i}n and C.J. Lambert and P.J. Low",

year = "2017",

month = feb,

day = "10",

doi = "10.1002/chem.201604565",

language = "English",

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pages = "2133--2143",

journal = "Chemistry - A European Journal",

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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, S.

AU - Al-Owaedi, O.A.

AU - Eaves, S.G.

AU - Milan, D.C.

AU - Lemmer, M.

AU - Skelton, B.W.

AU - Osorio, H.M.

AU - Nichols, R.J.

AU - Higgins, S.J.

AU - Cea, P.

AU - Long, N.J.

AU - Albrecht, T.

AU - Martín, S.

AU - Lambert, C.J.

AU - Low, P.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 - https://www.scopus.com/pages/publications/85009773888

U2 - 10.1002/chem.201604565

DO - 10.1002/chem.201604565

M3 - Article

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

Abstract

Keywords

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