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Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions

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Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions . / Al-Owaedi, Oday; Bock, Sören; Milan, David C. et al.
In: Nanoscale, Vol. 9, No. 28, 28.07.2017, p. 9902-9912.

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Harvard

Al-Owaedi, O, Bock, S, Milan, DC, Oerthel, M-C, Inkpen, MS, Yufit, DS, Sobolev, AN, Long, NJ, Albrecht, T, Higgins, SJ, Bryce, MR, Nichols, RJ, Lambert, CJ & Low, PJ 2017, 'Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions ', Nanoscale, vol. 9, no. 28, pp. 9902-9912. https://doi.org/10.1039/C7NR01829K

APA

Al-Owaedi, O., Bock, S., Milan, D. C., Oerthel, M-C., Inkpen, M. S., Yufit, D. S., Sobolev, A. N., Long, N. J., Albrecht, T., Higgins, S. J., Bryce, M. R., Nichols, R. J., Lambert, C. J., & Low, P. J. (2017). Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions . Nanoscale, 9(28), 9902-9912. https://doi.org/10.1039/C7NR01829K

Vancouver

Al-Owaedi O, Bock S, Milan DC, Oerthel M-C, Inkpen MS, Yufit DS et al. Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions . Nanoscale. 2017 Jul 28;9(28):9902-9912. Epub 2017 Jun 26. doi: 10.1039/C7NR01829K

Author

Al-Owaedi, Oday ; Bock, Sören ; Milan, David C. et al. / Insulated molecular wires : inhibiting orthogonal contacts in metal complex based molecular junctions . In: Nanoscale. 2017 ; Vol. 9, No. 28. pp. 9902-9912.

Bibtex

@article{ea0e9946f56a4b89bb11b19255aad172,
title = "Insulated molecular wires: inhibiting orthogonal contacts in metal complex based molecular junctions ",
abstract = "Metal complexes are receiving increased attention as molecular wires in fundamental studies of the transport properties of metal|molecule|metal junctions. In this context we report the single-molecule conductance of a systematic series of d8 square-planar platinum(II) trans-bis(alkynyl) complexes with terminal trimethylsilylethynyl (C[triple bond, length as m-dash]CSiMe3) contacting groups, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H4C[triple bond, length as m-dash]CSiMe3}2(PR3)2 (R = Ph or Et), using a combination of scanning tunneling microscopy (STM) experiments in solution and theoretical calculations using density functional theory and non-equilibrium Green's function formalism. The measured conductance values of the complexes (ca. 3–5 × 10−5G0) are commensurate with similarly structured all-organic oligo(phenylene ethynylene) and oligo(yne) compounds. Based on conductance and break-off distance data, we demonstrate that a PPh3 supporting ligand in the platinum complexes can provide an alternative contact point for the STM tip in the molecular junctions, orthogonal to the terminal C[triple bond, length as m-dash]CSiMe3 group. The attachment of hexyloxy side chains to the diethynylbenzene ligands, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H2(Ohex)2C[triple bond, length as m-dash]CSiMe3}2(PPh3)2 (Ohex = OC6H13), hinders contact of the STM tip to the PPh3 groups and effectively insulates the molecule, allowing the conductance through the full length of the backbone to be reliably measured. The use of trialkylphosphine (PEt3), rather than triarylphosphine (PPh3), ancillary ligands at platinum also eliminates these orthogonal contacts. These results have significant implications for the future design of organometallic complexes for studies in molecular junctions.",
author = "Oday Al-Owaedi and S{\"o}ren Bock and Milan, {David C.} and Marie-Christine Oerthel and Inkpen, {Michael S.} and Yufit, {Dmitry S.} and Sobolev, {Alexandre N.} and Long, {Nicholas J.} and Tim Albrecht and Higgins, {Simon J.} and Bryce, {Martin R.} and Nichols, {Richard J.} and Lambert, {Colin John} and Low, {Paul J.}",
year = "2017",
month = jul,
day = "28",
doi = "10.1039/C7NR01829K",
language = "English",
volume = "9",
pages = "9902--9912",
journal = "Nanoscale",
issn = "2040-3364",
publisher = "Royal Society of Chemistry",
number = "28",

}

RIS

TY - JOUR

T1 - Insulated molecular wires

T2 - inhibiting orthogonal contacts in metal complex based molecular junctions

AU - Al-Owaedi, Oday

AU - Bock, Sören

AU - Milan, David C.

AU - Oerthel, Marie-Christine

AU - Inkpen, Michael S.

AU - Yufit, Dmitry S.

AU - Sobolev, Alexandre N.

AU - Long, Nicholas J.

AU - Albrecht, Tim

AU - Higgins, Simon J.

AU - Bryce, Martin R.

AU - Nichols, Richard J.

AU - Lambert, Colin John

AU - Low, Paul J.

PY - 2017/7/28

Y1 - 2017/7/28

N2 - Metal complexes are receiving increased attention as molecular wires in fundamental studies of the transport properties of metal|molecule|metal junctions. In this context we report the single-molecule conductance of a systematic series of d8 square-planar platinum(II) trans-bis(alkynyl) complexes with terminal trimethylsilylethynyl (C[triple bond, length as m-dash]CSiMe3) contacting groups, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H4C[triple bond, length as m-dash]CSiMe3}2(PR3)2 (R = Ph or Et), using a combination of scanning tunneling microscopy (STM) experiments in solution and theoretical calculations using density functional theory and non-equilibrium Green's function formalism. The measured conductance values of the complexes (ca. 3–5 × 10−5G0) are commensurate with similarly structured all-organic oligo(phenylene ethynylene) and oligo(yne) compounds. Based on conductance and break-off distance data, we demonstrate that a PPh3 supporting ligand in the platinum complexes can provide an alternative contact point for the STM tip in the molecular junctions, orthogonal to the terminal C[triple bond, length as m-dash]CSiMe3 group. The attachment of hexyloxy side chains to the diethynylbenzene ligands, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H2(Ohex)2C[triple bond, length as m-dash]CSiMe3}2(PPh3)2 (Ohex = OC6H13), hinders contact of the STM tip to the PPh3 groups and effectively insulates the molecule, allowing the conductance through the full length of the backbone to be reliably measured. The use of trialkylphosphine (PEt3), rather than triarylphosphine (PPh3), ancillary ligands at platinum also eliminates these orthogonal contacts. These results have significant implications for the future design of organometallic complexes for studies in molecular junctions.

AB - Metal complexes are receiving increased attention as molecular wires in fundamental studies of the transport properties of metal|molecule|metal junctions. In this context we report the single-molecule conductance of a systematic series of d8 square-planar platinum(II) trans-bis(alkynyl) complexes with terminal trimethylsilylethynyl (C[triple bond, length as m-dash]CSiMe3) contacting groups, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H4C[triple bond, length as m-dash]CSiMe3}2(PR3)2 (R = Ph or Et), using a combination of scanning tunneling microscopy (STM) experiments in solution and theoretical calculations using density functional theory and non-equilibrium Green's function formalism. The measured conductance values of the complexes (ca. 3–5 × 10−5G0) are commensurate with similarly structured all-organic oligo(phenylene ethynylene) and oligo(yne) compounds. Based on conductance and break-off distance data, we demonstrate that a PPh3 supporting ligand in the platinum complexes can provide an alternative contact point for the STM tip in the molecular junctions, orthogonal to the terminal C[triple bond, length as m-dash]CSiMe3 group. The attachment of hexyloxy side chains to the diethynylbenzene ligands, e.g. trans-Pt{C[triple bond, length as m-dash]CC6H2(Ohex)2C[triple bond, length as m-dash]CSiMe3}2(PPh3)2 (Ohex = OC6H13), hinders contact of the STM tip to the PPh3 groups and effectively insulates the molecule, allowing the conductance through the full length of the backbone to be reliably measured. The use of trialkylphosphine (PEt3), rather than triarylphosphine (PPh3), ancillary ligands at platinum also eliminates these orthogonal contacts. These results have significant implications for the future design of organometallic complexes for studies in molecular junctions.

U2 - 10.1039/C7NR01829K

DO - 10.1039/C7NR01829K

M3 - Journal article

VL - 9

SP - 9902

EP - 9912

JO - Nanoscale

JF - Nanoscale

SN - 2040-3364

IS - 28

ER -