Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups.
Single-Molecule Conductance Studies of Organometallic Complexes Bearing 3-Thienyl Contacting Groups.
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DOI：
10.1002/chem.201604565
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发表时间：
2017-02-10
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通讯作者：
Low PJ
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作者：
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
化合物和配合物1，4-C6H4(C-≡C-环-3-C4H3S)2(2)，反式[铂(C≡C-环-3-C4H3S)2(PET3)2](3)，反式[Ru(C≡C-环-3-C4H3S)2(Dppe)2](4)；DPPE=1，2-双(二苯基膦)乙烷和反式[Ru(C-≡C-环-3-C4H3S)2{P(OEt)3}4](5)是以3-噻吩基作为金电极的表面接触基团，用扫描隧道显微镜和扫描隧道显微镜(STM-BJ)和STM-I(S)方法(测量隧道电流(I)随距离的变化(S))研究了DPPE=1，2-双(二苯基膦)乙烷和反式-[Ru(C-C-环-3-C4H3S)2{P(OEt)3}4](5)在金属|分子|金属结中的结晶学特征。化合物具有相似的电导曲线，低电导特征更容易被STM-I(S)方法识别，而更高的特征被STM-BJ方法识别。通过使用电导轨迹的无监督、自动多参数向量分类(MPVC)进行分析，进一步表征了较低电导特征。相似结构的HOMO和非共振隧穿机制的结合解释了2-5族化学上不同成员的电导值非常相似的原因。
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.