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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups
AU - Bock, Soren
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 - Martin, Santiago
AU - Lambert, Colin J.
AU - Low, Paul J.
PY - 2017/2
Y1 - 2017/2
N2 - The compounds and complexes 1,4-C6H4(C Ccyclo-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-3C(4)H(3)S) (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 Ccyclo-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-3C(4)H(3)S) (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
KW - EFFECTIVE CORE POTENTIALS
KW - ELECTRON-TRANSPORT
KW - CHARGE-TRANSPORT
KW - METAL-COMPLEXES
KW - RUTHENIUM(II) COMPLEXES
KW - QUANTUM INTERFERENCE
KW - LENGTH DEPENDENCE
KW - ANCHORING GROUPS
KW - LEVEL ALIGNMENT
KW - JUNCTIONS
U2 - 10.1002/chem.201604565
DO - 10.1002/chem.201604565
M3 - Journal article
VL - 23
SP - 2133
EP - 2143
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
SN - 0947-6539
IS - 9
ER -