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New development for studying cold ion chemistry in interstellar molecular coulds

Research Project

Project/Area Number 18H01271
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 17010:Space and planetary sciences-related
Research InstitutionSophia University

Principal Investigator

Okada Kunihiro  上智大学, 理工学部, 教授 (90311993)

Co-Investigator(Kenkyū-buntansha) 南部 伸孝  上智大学, 理工学部, 教授 (00249955)
崎本 一博  国立研究開発法人宇宙航空研究開発機構, 宇宙科学研究所, 助教 (60170627)
Project Period (FY) 2018-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥17,550,000 (Direct Cost: ¥13,500,000、Indirect Cost: ¥4,050,000)
Fiscal Year 2022: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2021: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2020: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2019: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2018: ¥9,100,000 (Direct Cost: ¥7,000,000、Indirect Cost: ¥2,100,000)
Keywords低温イオン極性分子反応 / シュタルク分子速度フィルター / イオントラップ / イオンのクーロン結晶 / 星間分子 / レーザー冷却 / クーロン結晶 / 分子動力学計算 / ab initio MD / 量子化学計算 / イオン極性分子反応 / イオン-極性分子反応 / 低温イオン分子反応 / 極性分子 / 反応経路
Outline of Final Research Achievements

We have succeeded in measuring the translational and rotational temperature dependence of the rate constants of low-temperature ion-polar molecule reactions, which are important for interstellar molecule formation. We demonstrated for the first time the importance of the rotational level distribution dependence of polar molecules in the reaction rate constants. In addition, the proposal of a new method for measuring low-temperature ion-polar molecule reactions and the success of the proof-of-principle experiment pave the way for future experimental studies of low-temperature ion-polar molecule reactions. On the other hand, in the theoretical research, we have successfully developed a reaction dynamics simulation code for ion-molecule reactions that incorporates non-adiabatic phenomena, which is necessary for the evaluation of reaction rate constants and branching ratios and for the elucidation of the reaction mechanism.

Academic Significance and Societal Importance of the Research Achievements

本研究はこれまでの手法では測定が困難な低温領域におけるイオン-極性分子反応の反応速度定数の測定法を新たに開拓し,実現したものである。その成果により,星間分子生成における極性分子の役割の重要性を実験的に明らかにした。特に低温イオン-極性分子反応の反応速度定数に対する極性分子の回転準位分布の重要性の実証に成功した点が学術的に意義のある点である。また,これまで試みられたことが無かったバッファーガス冷却イオンと低速極性分子線を組合せた低温イオン-極性分子反応測定法の提案と実証は,測定可能なイオンと極性分子の組合せ及び並進反応温度の範囲を飛躍的に増加させる点において学術的意義があると考える。

Report

(6 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • Research Products

    (35 results)

All 2023 2022 2021 2020 2019 2018 Other

All Journal Article (8 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 8 results,  Open Access: 1 results) Presentation (23 results) (of which Int'l Joint Research: 6 results,  Invited: 6 results) Book (1 results) Remarks (3 results)

  • [Journal Article] Rotational Cooling Effect on the Rate Constant in the CH<sub>3</sub>F + Ca<sup>+</sup> Reaction at Low Collision Energies2022

    • Author(s)
      Kunihiro Okada, Kazuhiro, Sakimoto, Hans A. Schuessler
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 126 Issue: 30 Pages: 4881-4890

    • DOI

      10.1021/acs.jpca.2c01063

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A study of the translational temperature dependence of the reaction rate constant between CH3CN and Ne+ at low temperatures2020

    • Author(s)
      Kunihiro Okada, Kazuhiro Sakimoto, Yusuke Takada, and Hans A. Schuessler
    • Journal Title

      The Journal of Chemical Physics

      Volume: 153 Issue: 12 Pages: 1243051-9

    • DOI

      10.1063/5.0013807

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical analysis of the kinetic isotope effect on carboxylation in RubisCO2020

    • Author(s)
      Jiang Tianlong、Moriwaki Kenta、Kobayashi Osamu、Ishimura Kazuya、Danielache Sebastian O.、Nanbu Shinkoh
    • Journal Title

      Journal of Computational Chemistry

      Volume: 41 Issue: 11 Pages: 1116-1123

    • DOI

      10.1002/jcc.26156

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical Molecular Dynamics Simulation of the DIF-1 Receptor Activation2019

    • Author(s)
      Jiang Tianlong、Saito Tamao、Nanbu Shinkoh
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 92 Issue: 9 Pages: 1436-1443

    • DOI

      10.1246/bcsj.20190071

    • NAID

      130007706743

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Synthesis, chemiluminescence, and application of 2,4-disubstituted phenyl 10-methyl-10λ4-acridine-9-carboxylates2019

    • Author(s)
      Nakazono Manabu、Nanbu Shinkoh、Akita Takeyuki、Hamase Kenji
    • Journal Title

      Dyes and Pigments

      Volume: 170 Pages: 107628-107628

    • DOI

      10.1016/j.dyepig.2019.107628

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Total Absorption Cross Section for UV Excitation of Sulfur Monoxide2019

    • Author(s)
      Sarka Karolis、Nanbu Shinkoh
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 123 Issue: 17 Pages: 3697-3702

    • DOI

      10.1021/acs.jpca.9b01921

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical study of electronic properties and isotope effects in the UV absorption spectrum of disulfur2019

    • Author(s)
      K. Sarka, S. Danielache, A. Kondorskiy, S. Nanbu
    • Journal Title

      Chemical Physics

      Volume: 516 Pages: 108-155

    • DOI

      10.1016/j.chemphys.2018.08.045

    • Related Report
      2019 Annual Research Report 2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Exotic molecules consisting of an antiproton and a hydrogen atom2018

    • Author(s)
      K. Sakimoto
    • Journal Title

      Phys. Rev. A

      Volume: 98 Issue: 4 Pages: 0425031-14

    • DOI

      10.1103/physreva.98.042503

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Presentation] 低速エタノール分子線とバッファーガス冷却Ca+イオンによる低温イオン-極性分子反応の実験的研究2023

    • Author(s)
      岡田邦宏,菅田一輝,木村直樹,崎本一博
    • Organizer
      日本物理学会2023年春季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 低エネルギーイオン-極性分子反応における回転温度冷却効果の観測2022

    • Author(s)
      岡田邦宏
    • Organizer
      原子衝突学会第47回年会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 低速極性分子線とバッファーガス冷却イオンを組合わせた低温イオン-極性分子反応の研究2022

    • Author(s)
      岡田邦宏,崎本一博,Hans A. Schuessler
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 冷却多重極線形イオントラップを用いた低温イオン-極性分子反応測定装置の開発II2022

    • Author(s)
      木村直樹,岡田邦宏,崎本一博
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] メチルアミンのS2状態からの真空紫外光解離過程に対する非断熱非経験的分子ダイナミクス2022

    • Author(s)
      高久 ゆりか,南部 伸孝
    • Organizer
      分子科学討論会2022年横浜
    • Related Report
      2022 Annual Research Report
  • [Presentation] アクリジニウムエステル誘導体の化学発光機構に現れる項間交差過程における溶媒効果の理論的解析2022

    • Author(s)
      神山 昇大,高久 ゆりか,村上 龍大,南部 伸孝
    • Organizer
      分子科学討論会2022年横浜
    • Related Report
      2022 Annual Research Report
  • [Presentation] An experimental study of cold ion-polar molecule reactions toward the application to astrochemistry2021

    • Author(s)
      Kunihiro Okada
    • Organizer
      Pacifichem2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Rotational cooling effect on the reaction rate constant of translationally cold Ca+ + CH3F → CaF+ + CH3 reaction2021

    • Author(s)
      Kunihiro Okada, Tomoya Nakamura, Kazuhiro Sakimoto
    • Organizer
      International Conference on Photonic, Electronic and Atomic Collisions
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 冷却多重極線形イオントラップを用いた低温イオン-極性分子反応測定装置の開発2021

    • Author(s)
      岡田邦宏,木村直樹,崎本一博
    • Organizer
      日本物理学会2021年秋季大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ab initio 分子動力学法による熱活性化遅延蛍光分子の光化学反応機構の理論的研究2021

    • Author(s)
      村上龍大,南部伸孝
    • Organizer
      第15回分子科学討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] メチルアミンの真空紫外光解離過程における非断熱非経験的分子ダイナミク2021

    • Author(s)
      高久ゆりか,南部伸孝
    • Organizer
      第15回分子科学討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] アクリジニュウムエステルの化学発光機構に現れる項間交差過程における溶媒効果の理論的研究2021

    • Author(s)
      神山昇大,南部伸孝
    • Organizer
      第15回分子科学討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 凝縮相における化学反応動力学2021

    • Author(s)
      南部伸孝
    • Organizer
      化学反応経路探索のニューフロンティア2021研究会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Chemical Reaction Dynamics in Condensed phase2021

    • Author(s)
      S. Nanbu
    • Organizer
      さくらサイエンス(日本ータイ)ワークショップ
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 極性分子の回転温度冷却を目的とした 冷却バッファーガスセルの開発2020

    • Author(s)
      岡田 邦宏,高山 俊弘,崎本 一博
    • Organizer
      日本物理学会第75回年次大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 温度可変シュタルク分子速度フィルターを用いたイオン-極性分子反応の温度依存性の測定2019

    • Author(s)
      岡田 邦宏,崎本 一博
    • Organizer
      原子衝突学会第44回年会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Reaction-rate measurements of cold ion-polar molecule reactions using a temperature variable wavy Stark velocity lter2019

    • Author(s)
      K. Okada, S. Okazaki, K. Manba, K. Sakimoto
    • Organizer
      31st International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC XXXI) (Deauville, France, from 23 to 30 July 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Nonadiabatic ab initio Molecular Dynamics of Photoisomerization Reaction in Solution2019

    • Author(s)
      S. Nanbu
    • Organizer
      International Conference on Theoretical and High-Performance Computational Chemistry(Guiyang, P.R. China, November 2- 5, 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Calculation of quantum exact UV absorption cross-sections for interstellar and atmospheric chemistry2019

    • Author(s)
      Karolis Sarka, S. Nanbu
    • Organizer
      XV International workshop on quantum reactive scattering (QRS2019 Workshop) (Saitama Univ., Saitama, Japan, July 1-5, 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 星間空間イオン-極性分子反応の実験的研究の進展2019

    • Author(s)
      岡田邦宏
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] イオン・ダイポール相互作用による共鳴散乱2019

    • Author(s)
      崎本一博
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 反陽子と水素原子は分子として結合できるか?2018

    • Author(s)
      崎本一博
    • Organizer
      日本物理学会2018年秋季大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Time-independent approach for fine-structure calculations in electronic spectra2018

    • Author(s)
      Karolis SARKA and Shinkoh NANBU
    • Organizer
      Workshop on Interstellar Matter 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Book] Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics, Chapter 12023

    • Author(s)
      T. MURAKAMI and S. NANBU
    • Total Pages
      504
    • Publisher
      Jenny Stanford Publishing
    • ISBN
      9789814968423
    • Related Report
      2022 Annual Research Report
  • [Remarks] 上智大学理工学部・原子物理研究室

    • URL

      http://www.ph.sophia.ac.jp/~ttak-ken/

    • Related Report
      2018 Annual Research Report
  • [Remarks] 上智大学・南部研究室

    • URL

      http://pweb.cc.sophia.ac.jp/nanbu_lab/index.html

    • Related Report
      2018 Annual Research Report
  • [Remarks] Matter-AntiMatter Reaction

    • URL

      http://antimatter.isas.jaxa.jp/

    • Related Report
      2018 Annual Research Report

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Published: 2018-04-23   Modified: 2024-01-30  

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