| Institution: | 1. Laboratory for Chemistry and Life Science, Institute of Innovative Research, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, 226-8503 Yokohama, Japan
Department of Chemical Science and Engineering, School of Materials and Chemical Technology, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, 226-8503 Yokohama, Japan;2. Laboratory for Chemistry and Life Science, Institute of Innovative Research, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, 226-8503 Yokohama, Japan;3. Kyushu University Platform of Inter/Transdisciplinary Energy Research, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka, 819-0395 Japan;4. Department of Chemistry, School of Science, Tokyo Institute of Technology, Ookayama, Tokyo, 152–8551 Japan |
| Abstract: | 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 4 n (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. |
