Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C≡C)n}2Ru(phosphine)4: High Conductance through Non-Aromatic Bridging Linkers

Atsushi Yashiro, Yuya Tanaka, Tomofumi Tada, Shintaro Fujii, Tomoaki Nishino, Munetaka Akita

研究成果: Contribution to journalArticle査読


In this work, the design, synthesis, and single-molecule conductance of ethynyl- and butadiynyl-ruthenium molecular wires with thioether anchor groups [RS=n-C6H13S, p-tert-Bu−C6H4S), trans-{RS−(C≡C)n}2Ru(dppe)2 (n=1 (1R), 2 (2R); dppe: 1,2-bis(diphenylphosphino)ethane) and trans-(n-C6H13S−C≡C)2Ru{P(OMe)3}4 3hex] are reported. Scanning tunneling microscope break-junction study has revealed conductance of the organometallic molecular wires with the thioacetylene backbones higher than that of the related organometallic wires having arylethynylruthenium linkages with the sulfur anchor groups, trans-{p-MeS−C6H4-(C≡C)n}2Ru(phosphine)4 4n (n=1, 2) and trans-(Th−C≡C)2Ru(phosphine)4 5 (Th=3-thienyl). It should be noted that the molecular junctions constructed from the butadiynyl wire 2R, trans-{Au−RS−(C≡C)2}2Ru(dppe)2 (Au: gold metal electrode), show conductance comparable to that of the covalently linked polyynyl wire with the similar molecular length, trans-{Au−(C≡C)3}2Ru(dppe)2 63. The DFT non-equilibrium Green's function (NEGF) study supports the highly conducting nature of the thioacetylene molecular wires through HOMO orbitals.

ジャーナルChemistry - A European Journal
出版ステータス受理済み/印刷中 - 2021

All Science Journal Classification (ASJC) codes

  • 触媒
  • 有機化学


「Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C≡C)<sub>n</sub>}<sub>2</sub>Ru(phosphine)<sub>4</sub>: High Conductance through Non-Aromatic Bridging Linkers」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。