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Control of branching ratio of reaction products by regulating the orientation of reactive complex in the transition state

Research Project

Project/Area Number 20H02691
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 32010:Fundamental physical chemistry-related
Research InstitutionOsaka University

Principal Investigator

Che Dock-Chil  大阪大学, 大学院理学研究科, 講師 (20273732)

Project Period (FY) 2020-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥17,810,000 (Direct Cost: ¥13,700,000、Indirect Cost: ¥4,110,000)
Fiscal Year 2022: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2021: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2020: ¥9,620,000 (Direct Cost: ¥7,400,000、Indirect Cost: ¥2,220,000)
Keywords分子の配向制御 / 光解離 / ベクトル相関 / 光吸収の遷移モーメントの方向 / 反応分岐比 / 分子配向制御 / 分子のアライメント制御 / 遷移状態 / 直接解離 / 二次的生成過程 / 生成物の散乱分布 / イソハロエタン / 六極不均一電場 / 散乱分布 / ハロタンの光解離 / 2次元イメージング法 / 反応制御 / 反応遷移状態 / ホモキラリティー
Outline of Research at the Start

化学反応は始状態から遷移状態を経て生成系へ至る。ここで反応遷移状態における励起化学種の構造は生成物へ至るまでの反応速度や反応分岐比を決定する重要な因子である。本研究では、衝突前の分子間相対配向を制御することで遷移状態における励起種の立体構造を制御し生成系へ至る反応経路の追跡から「反応分岐発現機構の解明」を目指す。六極不均一電場を用いてハロタン分子の配向状態を選別する。一方、偏光レーザーにより励起CO(a)分子のアライメント状態を制御する。両方の分子配向を規定し、反応物の初期相対配向と競争的に生成する生成物の反応分岐比の相関から生成系へ至る反応経路と反応分岐の発現機構の解明を目指す。

Outline of Final Research Achievements

Photodissociation dynamics of isohaloethane at 234 nm was studied by a sliced imaging technique combined with an oriented molecular beam. The speed and angular distributions of the competitive products Br and Cl atoms were determined by analysis of the obtained images. It was found that the Br atoms were generated by direct formation after excitation. In contrast, the Cl atoms may form through long-lived parent molecules after photoexcitation. The branching ratio for Br and Cl atom formation was found to be approximately 1.2, that is, Br atom formation occurred preferentially. A vector correlation study between the laser polarization axis and the direction of the dipole moment revealed a similar tendency for all photofragments, suggesting that the fragments were formed through a common excited state of isohaloethane. The vector correlation was also studied theoretically for comparison with the experimental results.

Academic Significance and Societal Importance of the Research Achievements

分子の配向状態を規定した条件下で反応を追跡すれば、反応機構の詳細な解明だけでなく、競争的に生成する生成物の反応分岐比の制御が可能となる。今回、分子の配向状態を規定した条件下で光解離により競争的に生成する生成物の散乱分布を測定した。分子の双極子モーメントの方向とレーザー電場ベクトルとのベクトル相関から分子が光を吸収した後の励起状態へ至る遷移モーメントの方向を実験的に初めて決定することに成功した。本研究手法を用いれば、競争的に生成する生成物のそれぞれの生成機構について明らかにすることが可能であり、長寿命励起状態を経由した光励起の遷移モーメントの方向も決定することが可能である。

Report

(4 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • Research Products

    (16 results)

All 2023 2022 2021 2020 Other

All Int'l Joint Research (6 results) Journal Article (6 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 6 results,  Open Access: 6 results) Presentation (4 results) (of which Int'l Joint Research: 2 results)

  • [Int'l Joint Research] 台湾大学(その他の国・地域(台湾))

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] ペルージャ大学(イタリア)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] ペルージャ大学(イタリア)

    • Related Report
      2021 Annual Research Report
  • [Int'l Joint Research] 台湾大学(その他の国・地域(台湾))

    • Related Report
      2021 Annual Research Report
  • [Int'l Joint Research] ペルージャ大学(イタリア)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] 台湾大学(その他の国・地域(台湾))

    • Related Report
      2020 Annual Research Report
  • [Journal Article] Photodissociation Dynamics of CF2ClCHFI Using Slice Imaging Combined with a Hexapole-Oriented Molecular Beam2022

    • Author(s)
      Kawamata Hiroshi、Che Dock-Chil、Nakamura Masaaki、Kasai Toshio
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 126 Issue: 47 Pages: 8844-8850

    • DOI

      10.1021/acs.jpca.2c06494

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Chemical Reaction Kinetics and Dynamics Re-Considered: Exploring Quantum Stereodynamics?From Line to Plane Reaction Pathways and Concerted Interactions2022

    • Author(s)
      Kasai Toshio、Lin King-Chuen、Tsai Po-Yu、Nakamura Masaaki、Che Dock-Chil、Palazzetti Federico、Muthiah Balaganesh
    • Journal Title

      Quantum Science

      Volume: Ch.2 Pages: 67-156

    • DOI

      10.1007/978-981-19-4421-5_3

    • ISBN
      9789811944208, 9789811944215
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Conformer Selection by Electrostatic Hexapoles: A Theoretical Study on 1-Chloroethanol and 2-Chloroethanol2022

    • Author(s)
      Caglioti Concetta、Nakamura Masaaki、Che Dock-Chil、Tsai Po-Yu、Palazzetti Federico
    • Journal Title

      Symmetry

      Volume: 14 Issue: 2 Pages: 317-317

    • DOI

      10.3390/sym14020317

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Change in surface properties of hemoglobin induced by heme reaction with O<sub>2</sub> and CO2022

    • Author(s)
      Maehira Ai、Che Dock-Chil、Matsumoto Takuya
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 61 Issue: 7 Pages: 075003-075003

    • DOI

      10.35848/1347-4065/ac77cc

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] A vector correlation study using a hexapole-oriented molecular beam: photodissociation dynamics of oriented isohaloethane2022

    • Author(s)
      Che Dock-Chil、Kawamata Hiroshi、Nakamura Masaaki、Kasai Toshio、Lin King-Chuen
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 24 Issue: 10 Pages: 5914-5920

    • DOI

      10.1039/d1cp05788j

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] UV Photodissociation of Halothane in a Focused Molecular Beam: Space-Speed Slice Imaging of Competitive Bond Breaking into Spin-Orbit-Selected Chlorine and Bromine Atoms2020

    • Author(s)
      Che Dock-Chil、Nakamura Masaaki、Chang Hsiu-Pu、Lin King-Chuen、Kasai Toshio、Aquilanti Vincenzo、Palazzetti Federico
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 124 Issue: 26 Pages: 5288-5296

    • DOI

      10.1021/acs.jpca.0c02800

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] サブフェーズにおけるイオン結合を用いた水溶性高分子 LB膜の形成2023

    • Author(s)
      村野 佑馬, 蔡 徳七, 永野 修作, 松本 卓也
    • Organizer
      第70回応用物理学会春季学術講演会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Photofragment imaging of oriented 1-chloro-2-iodo-1,1,2-trifluoroethane (CClF2CHFI) correlated with laser polarization2022

    • Author(s)
      KAWAMATA, Hiroshi; CHE, Dock-Chil; NAKAMURA, Masaaki; KASAI, Toshio; LIN, King-Chuen
    • Organizer
      37th Symposium on Chemical Kinetics and Dynamics
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Langmuir-Blodgett 法による導電性高分子薄膜の形成2022

    • Author(s)
      村野 佑馬、蔡 徳七、松本 卓也
    • Organizer
      第69回応用物理学会春季学術講演会
    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
  • [Presentation] Photofragment imaging of oriented isohaloethene (CBrF2CHClF) correlated with laser polarization2021

    • Author(s)
      H. Kawamata, D.-C. Che, M. Nakamura
    • Organizer
      36th Symposium on Chemical Kinetics and Dynamics
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research

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Published: 2020-04-28   Modified: 2024-01-30  

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