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 - http://www.scopus.com/inward/record.url?eid=2-s2.0-85009773888&partnerID=MN8TOARS
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 -