Fabrication of quantum cellular automaton by using charge degrees of freedom in molecules

• Project/Area Number: 16K17489
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Nanomaterials chemistry
• Research Institution: University of Hyogo
• Principal Investigator: Keishiro Tahara 兵庫県立大学, 物質理学研究科, 助教 (50622297)
• Project Period (FY): 2016-04-01 – 2018-03-31
• Project Status: Completed (Fiscal Year 2017)
• Budget Amount: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000); Fiscal Year 2017: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2016: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
• Keywords: 分子内電荷移動 / 混合原子価 / 金属錯体 / 非イノセント配位子 / カテコール / フェロセン / レドックス活性 / 超分子

Outline of Final Research Achievements

Mixed-valence compounds have attracted great interest from the viewpoint of molecular quantum cellular automaton (QCA). In this study, we regard molecular mixed-valence compounds involving two redox-active components as QCA half-cells and aim to obtain insight into controlling charge distributions as information. We constructed homo- and hetero-conjugates by covalently linking redox-active organic and/or organometallic components and clarified the effects of the types of redox-active components and bridging moieties on intramolecular charge transfer. We also explored a chemical method to introduce guest anions as external charges.

Research Products

• [Journal Article] Synthesis and electrochemistry of a ferrocene conjugate of a Pd(II) diimine catecholate complex and its charge transfer properties in the one-electron-oxidized form (2016)
  • Author(s): Keishiro Tahara, Shogo Akehi, Tomoya Kadowaki, Jun-ichi Kikuchi
  • Journal Title: Bulletin of the Chemical Society of Japan Volume: 89 Issue: 9 Pages: 1041-1047
  • DOI: 10.1246/bcsj.20160109
  • NAID: 130005332335
  • Peer Reviewed / Acknowledgement Compliant
• [Presentation] 三配位ホウ素置換基を導入したトリアリールアミン二量体の合成と物性 (2017)
  • Author(s): 田原圭志朗・小山悠也・小澤芳樹・阿部正明・菊池純一
  • Organizer: 日本化学会第97春季年会
  • Place of Presentation: 慶應義塾大学日吉キャンパス（横浜市）
  • Year and Date: 2017-03-16
• [Presentation] Theoretical Studies on Performance of Quantum-dot Cellular Automata made of Mixed-valence Biferrocenium Complexes (2017)
  • Author(s): Fumiya Odate, Ken Tokunaga, Keishiro Tahara, Mitsunobu Sato
  • Organizer: 日本化学会第97春季年会
  • Place of Presentation: 慶應義塾大学日吉キャンパス（横浜市）
  • Year and Date: 2017-03-16
• [Presentation] Fabrication of Covalent- and Hydrogen-Bonded Assemblies of Biferrocenium Diboronic Acid and Their Charge Transfer Properties (2017)
  • Author(s): Keishiro Tahara
  • Organizer: 3rd Computational Chemistry (CC) Symposium of ICCMSE 2017
  • Int'l Joint Research / Invited
• [Presentation] Synthesis, electrochemical behavior, and intramolecular charge transfer properties of Pd(II) complexes of extended catecholate ligands (2017)
  • Author(s): Keishiro Tahara, Tomoya Kadowaki, Jun-ichi Kikuchi, Yoshiki Ozawa, Masaaki Abe
  • Organizer: 錯体化学会第67回討論会
• [Presentation] Synthesis of Pd(II) complexes of extended catecholate ligands and wide-range tuning of near-IR absorptivity (2017)
  • Author(s): TAHARA Keishiro, KADOWAKI Tomoya, KIKUCHI Jun-ichi, ASHIHARA Yuya, OZAWA Yoshiki, ABE Masaaki
  • Organizer: 日本化学会第98春季年会
• [Presentation] ビスカテコラト配位子を有する白金錯体の合成、物性評価および原子価間電荷移動の性質 (2017)
  • Author(s): 芦原 優也, 田原 圭志朗, 小澤 芳樹, 阿部 正明
  • Organizer: 日本化学会第98春季年会
• [Presentation] ルイス酸性部位を有するビス(トリアリールアミン)誘導体の開発と混合原子価状態の評価 (2016)
  • Author(s): 小山悠也・田原圭志朗・菊池純一
  • Organizer: 第10回有機π電子系シンポジウム
  • Place of Presentation: あうる京北・京都府立ゼミナールハウス（京都市）
  • Year and Date: 2016-12-16
• [Presentation] ビスカテコラト配位子を用いたパラジウムニ核錯体の合成と架橋部位の改変が分子内電荷移動特性に及ぽす影響の評価 (2016)
  • Author(s): 門脇知也・田原圭志朗・'菊池純一
  • Organizer: 第10回有機π電子系シンポジウム
  • Place of Presentation: あうる京北・京都府立ゼミナールハウス（京都市）
  • Year and Date: 2016-12-16
• [Presentation] Synthesis, characterization and charge transfer properties of 1'-dimesitylborylbiferrocene (2016)
  • Author(s): Keishiro Tahara, Shiomi Yabumoto, Nazuna Terashita, Ken Tokunaga, Jun-ichi Kikuchi
  • Organizer: 第66回錯体化学討論会
  • Place of Presentation: 福岡大学七隈キャンパス（福岡市）
  • Year and Date: 2016-09-10