The Experts below are selected from a list of 201 Experts worldwide ranked by ideXlab platform
Manabu Kiguchi - One of the best experts on this subject based on the ideXlab platform.
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Highly-conducting molecular circuits based on Antiaromaticity.
Nature communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Aromaticity is a fundamental concept in chemistry. It is described by Huckel's rule that states that a cyclic planar π-system is aromatic when it shares 4n+2 π-electrons and Antiaromatic when it possesses 4n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current-voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
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Highly-conducting molecular circuits based on Antiaromaticity
Nature Communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Antiaromatic molecules are predicted to have unusual charge transport properties, but are notoriously unstable and reactive. Here, the authors successfully fabricate an Antiaromatic molecular circuit, based on a macrocyclic complex, displaying much higher conductance than its aromatic counterpart. Aromaticity is a fundamental concept in chemistry. It is described by Hückel’s rule that states that a cyclic planar π-system is aromatic when it shares 4 n +2 π-electrons and Antiaromatic when it possesses 4 n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current–voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
Hiroshi Shinokubo - One of the best experts on this subject based on the ideXlab platform.
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Highly-conducting molecular circuits based on Antiaromaticity
Nature Communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Antiaromatic molecules are predicted to have unusual charge transport properties, but are notoriously unstable and reactive. Here, the authors successfully fabricate an Antiaromatic molecular circuit, based on a macrocyclic complex, displaying much higher conductance than its aromatic counterpart. Aromaticity is a fundamental concept in chemistry. It is described by Hückel’s rule that states that a cyclic planar π-system is aromatic when it shares 4 n +2 π-electrons and Antiaromatic when it possesses 4 n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current–voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
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Highly-conducting molecular circuits based on Antiaromaticity.
Nature communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Aromaticity is a fundamental concept in chemistry. It is described by Huckel's rule that states that a cyclic planar π-system is aromatic when it shares 4n+2 π-electrons and Antiaromatic when it possesses 4n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current-voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
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An Antiaromatic Electrode‐Active Material Enabling High Capacity and Stable Performance of Rechargeable Batteries
Angewandte Chemie (International ed. in English), 2014Co-Authors: Ji-young Shin, Tetsuya Yamada, Hirofumi Yoshikawa, Kunio Awaga, Hiroshi ShinokuboAbstract:Although aromatic Compounds occupy a central position in organic chemistry, Antiaromatic Compounds have demonstrated little practical utility. Herein we report the application of an Antiaromatic Compound as an electrode-active material in rechargeable batteries. The performance of dimesityl-substituted norcorrole nickel(II) complex (NiNC) as a cathode-active material was examined with a Li metal anode. A maximum discharge capacity of about 207 mAhg−1 was maintained after 100 charge/discharge cycles. Moreover, the bipolar redox property of NiNC enables the construction of a Li metal free rechargeable battery. The high performance of NiNC batteries demonstrates a prospective feature of stable Antiaromatic Compounds as electrode-active materials.
Ji-young Shin - One of the best experts on this subject based on the ideXlab platform.
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Highly-conducting molecular circuits based on Antiaromaticity
Nature Communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Antiaromatic molecules are predicted to have unusual charge transport properties, but are notoriously unstable and reactive. Here, the authors successfully fabricate an Antiaromatic molecular circuit, based on a macrocyclic complex, displaying much higher conductance than its aromatic counterpart. Aromaticity is a fundamental concept in chemistry. It is described by Hückel’s rule that states that a cyclic planar π-system is aromatic when it shares 4 n +2 π-electrons and Antiaromatic when it possesses 4 n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current–voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
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Highly-conducting molecular circuits based on Antiaromaticity.
Nature communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Aromaticity is a fundamental concept in chemistry. It is described by Huckel's rule that states that a cyclic planar π-system is aromatic when it shares 4n+2 π-electrons and Antiaromatic when it possesses 4n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current-voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
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An Antiaromatic Electrode‐Active Material Enabling High Capacity and Stable Performance of Rechargeable Batteries
Angewandte Chemie (International ed. in English), 2014Co-Authors: Ji-young Shin, Tetsuya Yamada, Hirofumi Yoshikawa, Kunio Awaga, Hiroshi ShinokuboAbstract:Although aromatic Compounds occupy a central position in organic chemistry, Antiaromatic Compounds have demonstrated little practical utility. Herein we report the application of an Antiaromatic Compound as an electrode-active material in rechargeable batteries. The performance of dimesityl-substituted norcorrole nickel(II) complex (NiNC) as a cathode-active material was examined with a Li metal anode. A maximum discharge capacity of about 207 mAhg−1 was maintained after 100 charge/discharge cycles. Moreover, the bipolar redox property of NiNC enables the construction of a Li metal free rechargeable battery. The high performance of NiNC batteries demonstrates a prospective feature of stable Antiaromatic Compounds as electrode-active materials.
Shintaro Fujii - One of the best experts on this subject based on the ideXlab platform.
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Highly-conducting molecular circuits based on Antiaromaticity.
Nature communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Aromaticity is a fundamental concept in chemistry. It is described by Huckel's rule that states that a cyclic planar π-system is aromatic when it shares 4n+2 π-electrons and Antiaromatic when it possesses 4n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current-voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
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Highly-conducting molecular circuits based on Antiaromaticity
Nature Communications, 2017Co-Authors: Shintaro Fujii, Ji-young Shin, Hiroshi Shinokubo, Santiago Marqués-gonzález, Takuya Masuda, Tomoaki Nishino, Narendra P. Arasu, Héctor Vázquez, Manabu KiguchiAbstract:Antiaromatic molecules are predicted to have unusual charge transport properties, but are notoriously unstable and reactive. Here, the authors successfully fabricate an Antiaromatic molecular circuit, based on a macrocyclic complex, displaying much higher conductance than its aromatic counterpart. Aromaticity is a fundamental concept in chemistry. It is described by Hückel’s rule that states that a cyclic planar π-system is aromatic when it shares 4 n +2 π-electrons and Antiaromatic when it possesses 4 n π-electrons. Antiaromatic Compounds are predicted to exhibit remarkable charge transport properties and high redox activities. However, it has so far only been possible to measure Compounds with reduced aromaticity but not Antiaromatic species due to their energetic instability. Here, we address these issues by investigating the single-molecule charge transport properties of a genuinely Antiaromatic Compound, showing that Antiaromaticity results in an order of magnitude increase in conductance compared with the aromatic counterpart. Single-molecule current–voltage measurements and ab initio transport calculations reveal that this results from a reduced energy gap and a frontier molecular resonance closer to the Fermi level in the Antiaromatic species. The conductance of the Antiaromatic complex is further modulated electrochemically, demonstrating its potential as a high-conductance transistor.
Heikki M Tuononen - One of the best experts on this subject based on the ideXlab platform.
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hydrogen activation with perfluorinated organoboranes 1 2 3 tris pentafluorophenyl 4 5 6 7 tetrafluoro 1 boraindene
Chemical Communications, 2014Co-Authors: Adrian Y Houghton, Virve A Karttunen, Warren E Piers, Heikki M TuononenAbstract:The perfluorinated boraindene 3 was synthesized and fully characterized. Both computational and crystallographic data show that 3 is Antiaromatic. Compound 3 was shown to react reversibly with H2 and to catalyse the hydrogenation of cyclohexene. The mechanism of catalysis was probed experimentally and computationally.
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dihydrogen activation by Antiaromatic pentaarylboroles
Journal of the American Chemical Society, 2010Co-Authors: Cheng Fan, Warren E Piers, Heikki M Tuononen, Lauren G Mercier, Masood ParvezAbstract:Facile metal-free splitting of molecular hydrogen (H2) is crucial for the utilization of H2 without the need for toxic transition-metal-based catalysts. Frustrated Lewis pairs (FLPs) are a new class of hydrogen activators wherein interactions with both a Lewis acid and a Lewis base heterolytically disrupt the hydrogen−hydrogen bond. Here we describe the activation of hydrogen exclusively by a boron-based Lewis acid, perfluoropentaphenylborole. This Antiaromatic Compound reacts extremely rapidly with H2 in both solution and the solid state to yield boracyclopent-3-ene products resulting from addition of hydrogen atoms to the carbons α to boron in the starting borole. The disruption of Antiaromaticity upon reaction of the borole with H2 provides a significant thermodynamic driving force for this new metal-free hydrogen-splitting reaction.
