TY - JOUR
T1 - Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C≡C)n}2Ru(phosphine)4
T2 - High Conductance through Non-Aromatic Bridging Linkers
AU - Yashiro, Atsushi
AU - Tanaka, Yuya
AU - Tada, Tomofumi
AU - Fujii, Shintaro
AU - Nishino, Tomoaki
AU - Akita, Munetaka
N1 - Funding Information:
This work was supported by JSPS KAKENHI Grant Number 18K05139 and a research grant from the JGC-S Scholarship Foundation. This work was also performed under the Cooperative Research Program of “Network Joint Research Center for Materials and Devices.” The theoretical calculations were performed by using computers in Research Center for Computational Science, Okazaki, Japan.
Funding Information:
This work was supported by JSPS KAKENHI Grant Number 18K05139 and a research grant from the JGC‐S Scholarship Foundation. This work was also performed under the Cooperative Research Program of “Network Joint Research Center for Materials and Devices.” The theoretical calculations were performed by using computers in Research Center for Computational Science, Okazaki, Japan.
Publisher Copyright:
© 2021 Wiley-VCH GmbH
PY - 2021/7/2
Y1 - 2021/7/2
N2 - 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.
AB - 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.
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U2 - 10.1002/chem.202100828
DO - 10.1002/chem.202100828
M3 - Article
C2 - 33856082
AN - SCOPUS:85106225844
SN - 0947-6539
VL - 27
SP - 9666
EP - 9673
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
IS - 37
ER -