"Doping" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.

Exploration of highly conductive molecules is essential to achieve single-molecule electronic devices. The present paper describes the results on single-molecule conductance study of polyyne wires doped with the organometallic Ru(dppe)2 fragment, X-(C≡C) n-Ru(dppe)2-(C≡C) n-X. The metallapolyyne wires end-capped with the gold fragments (X = AuL) are subjected to single-molecule conductance measurements with the STM break junction technique, which reveal the high conductance (10-3-10-2 G0; n = 2-4) with the low attenuation factor (0.25 Å-1) and the low contact resistance (33 kΩ). A unique "'doping'" effect of Ru(dppe)2 fragment was found to lead to the high performance as suggested by the hybrid density functional theory-nonequilibrium green function calculation.

• Publication year

  2018

• Venue

  Journal of the American Chemical Society

• Publication date

  2018-07-02

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1021/jacs.8b04484PMID 29962208
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Radical-Enhanced Charge Transport in Single-Molecule Phenothiazine Electrical Junctions.

  2017cited by this paper
• Inorganic and Organometallic Molecular Wires for Single-Molecule Devices.

  2017cited by this paper
• Single‐Molecule Conductance Studies of Organometallic Complexes Bearing 3‐Thienyl Contacting Groups

  2017cited by this paper
• The single-molecule electrical conductance of a rotaxane-hexayne supramolecular assembly.

  2017cited by this paper
• University of Birmingham Single-molecule conductance studies of organometallic complexes bearing 3-thienyl contacting groups

  2017cited by this paper
• C-Au Covalently Bonded Molecular Junctions Using Nonprotected Alkynyl Anchoring Groups.

  2016cited by this paper
• Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction.

  2016cited by this paper
• Solvent Dependence of the Single Molecule Conductance of Oligoyne-Based Molecular Wires

  2016cited by this paper
• Molecular-Scale Electronics: From Concept to Function.

  2016cited by this paper
• Field-induced conductance switching by charge-state alternation in organometallic single-molecule junctions.

  2016cited by this paper
• Carbyne: The Molecular Approach.

  2015cited by this paper
• High-conductive organometallic molecular wires with delocalized electron systems strongly coupled to metal electrodes.

  2014cited by this paper
• Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.

  2014cited by this paper
• Cyclization of gold acetylides: synthesis of vinyl sulfonates via gold vinylidene complexes.

  2014cited by this paper
• Single-molecule conductance of functionalized oligoynes: length dependence and junction evolution.

  2013cited by this paper
• Single molecule bridging between metal electrodes.

  2013cited by this paper
• Metal complexes in molecular junctions.

  2013cited by this paper
• Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule-gold contact.

  2013cited by this paper
• Correlations between molecular structure and single-junction conductance: a case study with oligo(phenylene-ethynylene)-type wires.

  2012cited by this paper
• Extending Metal-Capped Polyynediyl Molecular Wires by Insertion of Inorganic Metal Units

  2012cited by this paper
• Trimethylsilyl-terminated oligo(phenylene ethynylene)s: an approach to single-molecule junctions with covalent Au-C σ-bonds.

  2012cited by this paper
• Synthesis, photophysical properties, and molecular aggregation of gold(I) complexes containing carbon-donor ligands.

  2011cited by this paper
• Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes.

  2011cited by this paper
• Oligoyne single molecule wires.

  2009cited by this paper
• Electron transport in single molecules: from benzene to graphene.

  2009cited by this paper
• Probing charge transport of ruthenium-complex-based molecular wires at the single-molecule level.

  2008cited by this paper
• Electronic transport through ruthenium-based redox-active molecules in metal-molecule-metal nanogap junctions.

  2008cited by this paper
• Efficacy of Au-Au Contacts for Scanning Tunneling Microscopy Molecular Conductance Measurements

  2007cited by this paper
• Dangerously Seeking Linear Carbon

  2006cited by this paper
• Chemistry. Dangerously seeking linear carbon.

  2006cited by this paper
• Electron transport in molecular junctions

  2006cited by this paper
• Unusual conductance of polyyne-based molecular wires.

  2006cited by this paper
• Ru2(ap)4(σ-oligo(phenyleneethynyl)) Molecular Wires: Synthesis and Electronic Characterization

  2005cited by this paper
• Ru2(ap)4(sigma-oligo(phenyleneethynyl)) molecular wires: synthesis and electronic characterization.

  2005cited by this paper
• Green's function formalism coupled with Gaussian broadening of discrete states for quantum transport: application to atomic and molecular wires.

  2004cited by this paper
• Metal complexes containing cumulenylidene ligands, {LmM}C(C)nCRR′(n≥2)

  2004cited by this paper
• Electron Transport in Molecular Wire Junctions

  2003cited by this paper
• Measurement of Single-Molecule Resistance by Repeated Formation of Molecular Junctions

  2003cited by this paper
• Ligand effects on charge transport in platinum(II) acetylides.

  2003cited by this paper

• Concurrent Enhancement of Thermopower and Conductivity via Modulation of Diacetylide-Electrode Coupling in Molecular Junctions.

  2026cites this paper
• Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms

  2025cites this paper
• Controlled Incorporation of Silver Atoms into Coordination Chain Single-Molecule Junctions Formed on Gold Electrodes.

  2025cites this paper
• Electronic and Thermoelectric Properties of Molecular Junctions Incorporating Organometallic Complexes: Implications for Thermoelectric Energy Conversion

  2025cites this paper
• Metal ion independent conductance through bis-chelated metal complex molecular wires based on a bis(diphenylphosphino)aniline derivative.

  2025cites this paper
• Physical properties of transition metal complexes in single-molecule junctions

  2025cites this paper
• Steric and Conformational Effects in Molecular Junctions

  2025cites this paper
• Single Molecule Junction of Polynuclear Alkynylplatinum-Based Organometallic Molecular Wires: A Theoretical Study of the Long-Range Transport Effect of Linkage to Gold Surfaces.

  2025cites this paper
• Thermoelectricity in Molecular Tunnel Junctions.

  2025cites this paper
• Transition Metal Based Spin-Tuned Charge Transfer in Single-Molecule Junctions.

  2024cites this paper
• Modulated charge transport and device functionality in dual-state molecular junctions

  2024cites this paper
• Controlling Redox and Wirelike Charge-Delocalization Properties of Dinuclear Mixed-Valence Complexes with MCp*(dppe) (M = Fe, Ru) Termini Bridged by Metalloporphyrin Linkers

  2024cites this paper
• The many facets of RuII(dppe)2 acetylide compounds.

  2024cites this paper
• Single‐Molecule Mechanoresistivity by Intermetallic Bonding

  2024cites this paper
• Intermediate Intercluster Bond Orders. Electronic Communication in Au38(SR)24 Superatomic Molecules.

  2024cites this paper
• Ballistic Conductance through Porphyrin Nanoribbons

  2024cites this paper
• Ru(0)-catalysed cross-dimerisation and -trimerisation of alkynyl- with butadienylheteroarenes.

  2023cites this paper
• Not So Innocent After All: Interfacial Chemistry Determines Charge‐Transport Efficiency in Single‐Molecule Junctions

  2023cites this paper
• Molecule‐Electrode Interfaces Controlled by Bulky Long‐Legged Ligands in Organometallic Molecular Wires

  2023cites this paper
• Terpyridine Ruthenium-Triarylamine Asymmetrical Mixed-Valence Systems: Syntheses, (Spectro) Electrochemistry and Theoretical Calculations

  2023cites this paper
• Metal Complex Molecular Junctions as Thermoelectric Devices.

  2023cites this paper
• Thermally Stable Monoruthenium Acetylide Radical Species

  2023cites this paper
• Coupling effects in bipyridines linked to carbon nanowires

  2023cites this paper
• Unraveling the Push-Pull Effect in Acenes, Polyenes and Polyynes.

  2023cites this paper
• Electrically conductive [Fe4S4]-based organometallic polymers

  2023cites this paper
• Tetracopper σ-Bound µ-Acetylide and -Diyne Units Stabilized by a Naphthyridine-based Dinucleating Ligand.

  2023cites this paper
• In Situ Creation of Organometallic Molecular Junctions via Terminal Alkynes

  2023cites this paper
• Coordination polymers for emerging molecular devices

  2022cites this paper
• Surface modification of waste silicone rubber via alcoholysis reaction and its application in polypropylene toughening

  2022cites this paper
• Phenylene as an efficient mediator for intermetallic electronic coupling.

  2022cites this paper
• Dynamic Interconversions of Single Molecules Probed by Recognition Tunneling at Cucurbit[7]uril‐Functionalized Supramolecular Junctions

  2022cites this paper
• Acene Size‐Dependent Transition of The Radical Centers From the Metal to The Acene Parts In Monocationic Dinuclear (Diethynylacene)diyl Complexes

  2022cites this paper
• A Metal Alkynyl Molecular Wire with PN ligands: Synthesis, Isomerization, Physical Properties and Single-Molecule Conductance

  2022cites this paper
• Bis-Alkynyl Complexes of Fe(III) Tetraaza Macrocycles─A Tale of Two Rings.

  2022cites this paper
• Binuclear Metal Ruthenium Complexes Bridged by Isomeric Bis(Ethynyl)Pyridine: Syntheses, Characterization and Electronic Coupling Properties

  2022cites this paper
• Key Advances in Electrochemically-Addressable Single-Molecule Electronics

  2022cites this paper
• Visualizing an Electrochemically Induced Radical Cation of Bipyridine at Au(111)/Ionic Liquid Interfaces toward a Single-Molecule Switch.

  2022cites this paper
• Structural and electronic properties of polyyne and cumulene chains with phenylene as central aromatic group: a density functional theory study

  2022cites this paper
• Carbon-rich organometallics: Application to molecular electronics

  2022cites this paper
• A Series of Mono- and Bis-Alkynyl Co(III) Complexes Supported by a Tetra-imine Macrocyclic Ligand (TIM)

  2021cites this paper
• Molecular Structure-(Thermo)electric Property Relationships in Single-Molecule Junctions and Comparisons with Single- and Multiple-Parameter Models.

  2021cites this paper
• Functionalized oligoynes: comparison of theoretical parameters with experimental single molecule conductance

  2021cites this paper
• Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C≡C)n}2Ru(phosphine)4: High Conductance Through Non-Aromatic Bridging Linkers.

  2021cites this paper
• Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal–metal interaction†‡

  2021cites this paper
• Theoretical study on the effect of applying an external static electric field on the singlet fission dynamics of pentacene dimer models.

  2021cites this paper
• Surface-Confined Ruthenium Complexes Bearing Benzimidazole Derivatives: Toward Functional Devices

  2021cites this paper
• A review of functional linear carbon chains (oligoynes, polyynes, cumulenes) and their applications as molecular wires in molecular electronics and optoelectronics

  2021cites this paper
• Allocation of Ambipolar Charges on an Organic Diradical with a Vinylene-Phenylenediyne Bridge.

  2021cites this paper
• Polyyne-metal complexes for use in molecular wire applications: A DFT insight

  2021cites this paper
• Syntheses and structures of trans-bis(alkenylacetylide) ruthenium complexes.

  2021cites this paper
• Syntheses and material applications of Ru(II)(bisphosphine)2 alkynyls

  2021cites this paper
• Amine terminated polyynes as candidates for molecular wire applications: A DFT study

  2021cites this paper
• Metal Complexes and Clusters in Single‐Molecule Electronics

  2021cites this paper
• Spin-crossover in iron(II)-phenylene ethynylene-2,6-di(pyrazol-1-yl) pyridine hybrids: toward switchable molecular wire-like architectures

  2020cites this paper
• Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne

  2020cites this paper
• Synthesis and charge transfer characteristics of a ruthenium–acetylide complex

  2020cites this paper
• Multiple striking negative differential resistance in a polyyne wire doped with an organometallic fragment

  2020cites this paper
• Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged localized radical characters and reduced aromaticity in bridge cores.

  2020cites this paper
• Ligand-Field-Modulated Molecular Junctions: On Covalently Bonded Ethynyl–Electrode Interfaces

  2020cites this paper
• Co(cyclam) Complexes of Triarylamine-acetylide: Structural and Spectroscopic Properties and DFT Analysis

  2020cites this paper
• Atomic-Scale Visualization of Stepwise Growth Mechanism of Metal-Alkynyl Networks on Surfaces.

  2020cites this paper
• Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire.

  2020cites this paper
• Ion-assisted Resonant Injection and Charge Storage in Carbon-based Molecular Junctions.

  2020cites this paper
• Covalent Ag-C Bonding Contacts from Unprotected Terminal Acetylenes for Molecular Junctions.

  2020cites this paper
• Improving Redox Reversibility and Intermetallic Coupling of Co(III) Alkynyls through Tuning of Frontier Orbitals

  2020cites this paper
• Modulating electron transport through single-molecule junctions by heteroatom substitution

  2020cites this paper
• Enhanced charge transport via d(δ)-p(π) conjugation in Mo2-integrated single-molecule junctions.

  2020cites this paper
• A Chemically Soldered Polyoxometalate Single‐Molecule Transistor

  2020cites this paper
• Synthesis, Structure and Physical Properties of “Wire-like” Metal Complexes

  2020cites this paper
• From Single Molecules to Thin Film Electronics, Nanofibers, e‐Textiles and Power Cables: Bridging Length Scales with Organic Semiconductors

  2019cites this paper
• New Synthetic Route for Cobalt(III) Dissymmetric Bisalkynyl Complexes Based on Cobalt(III)(cyclam)(C2 NAPMes )

  2019cites this paper
• Unsymmetrical Bis-Alkynyl Complexes Based on Co(III)(cyclam): Synthesis, Ultrafast Charge Separation, and Analysis.

  2019cites this paper
• π-Conjugated Macrocycles Bearing Angle-Strained Alkynes.

  2019cites this paper
• Revisit of trinickel metal string complexes [Ni 3 L 4 X 2 ] (L = dipyridylamido, diazaphenoxazine; X = NCS, CN) for quantum transport

  2019cites this paper
• Co(cyclam) alkynyl complexes of gem-DEE-aryl: Synthesis, molecular and electronic structures

  2019cites this paper
• Gas Phase Formation of the Interstellar Molecule Methyltriacetylene.

  2019cites this paper
• Nanoparticle Linker-Controlled Molecular Wire Devices Based on Double Molecular Monolayers.

  2019cites this paper
• Dinuclear ruthenium acetylide complexes with diethynylated anthrahydroquinone and anthraquinone frameworks: a multi-stimuli-responsive organometallic switch.

  2019cites this paper
• New routes to organometallic molecular junctions via a simple thermal processing protocol

  2019cites this paper
• Wire like diplatinum, triplatinum, and tetraplatinum complexes featuring X[PtC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]CC[triple bond, length as m-dash]C]mPtX segments; iterative syntheses and functionalization for measurements of single molecu

  2019cites this paper
• A Peanut-Shaped Polyaromatic Capsule: Solvent-Dependent Transformation and Electronic Properties of a Non-Contacted Fullerene Dimer.

  2019cites this paper
• Synthesis, Structure, Electrochemical, and Spectroscopic Properties of Hetero-Bimetallic Ru(II)/Fe(II)-Alkynyl Organometallic Complexes.

  2019cites this paper
• Ruthenium(II) as Conductive Promoter To Alleviate Conductance Attenuation in Oligoynyl Chains

  2019cites this paper
• Synthesis and intramolecular electronic interactions of hexaarylbenzene bearing redox-active Cp*(dppe)Fe-C≡C- termini

  2018cites this paper