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首页> 外文期刊>Chemistry: A European journal >Synthesis and Single-Molecule Conductance Study of Redox-Active Ruthenium Complexes with Pyridyl and Dihydrobenzo[b]thiophene Anchoring Groups
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Synthesis and Single-Molecule Conductance Study of Redox-Active Ruthenium Complexes with Pyridyl and Dihydrobenzo[b]thiophene Anchoring Groups

机译：带有吡啶基和二氢苯并[b]噻吩固定基团的氧化还原活性钌配合物的合成和单分子电导研究

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摘要

The ancillary ligands 4'-(4-pyridyl)-2,2': 6',2 ''-terpyridine and 4'-(2,3-dihydrobenzo[b]thiophene)-2,2'-6',2 ''-terpyridine were used to synthesize two series of mono-and dinuclear ruthenium complexes differing in their lengths and anchoring groups. The electrochemical and single-molecular conductance properties of these two series of ruthenium complexes were studied experimentally by means of cyclic voltammetry and the scanning tunneling microscopy-break junction technique (STM-BJ) and theoretically by means of density functional theory (DFT). Cyclic voltammetry data showed clear redox peaks corresponding to both the metal- and ligand-related redox reactions. Single-molecular conductance demonstrated an exponential decay of the molecular conductance with the increase in molecular length for both the series of ruthenium complexes, with decay constants of beta(PY)=2.07 +/- 0.1 nm (1) and beta(BT)=2.16 +/- 0.1 nm (1,) respectively. The contact resistance of complexes with 2,3-dihydrobenzo[ b] thiophene (BT) anchoring groups is found to be smaller than the contact resistance of ruthenium complexes with pyridine (PY) anchors. DFT calculations support the experimental results and provided additional information on the electronic structure and charge transport properties in those metal vertical bar ruthenium complex vertical bar metal junctions.
机译：辅助配体4'-（4-吡啶基）-2,2'：6'，2''-吡啶和4'-（2,3-二氢苯并[b]噻吩）-2,2'-6'，2 ''-叔吡啶用于合成长度和锚定基团不同的两个系列的单核和双核钌配合物。通过循环伏安法和扫描隧道显微镜-断裂键合技术（STM-BJ）并通过密度泛函理论（DFT）从理论上研究了这两个系列的钌配合物的电化学和单分子电导性质。循环伏安法数据显示出清晰的氧化还原峰，对应于金属和配体相关的氧化还原反应。单分子电导表明，这一系列钌配合物的分子电导随分子长度的增加呈指数衰减，其衰减常数为β（PY）= 2.07 +/- 0.1 nm（1）和β（BT）=分别为2.16 +/- 0.1 nm（1）。发现具有2，3-二氢苯并[b]噻吩（BT）锚定基团的配合物的接触电阻小于具有吡啶（PY）锚定的钌配合物的接触电阻。 DFT计算支持实验结果，并提供了有关那些金属垂直条形钌络合物垂直条形金属结中电子结构和电荷传输性质的更多信息。

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