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Investigation on structural fluctuations of hydrogen bond structures based on the direct observation of isomerization of gas-phase molecular clusters

Research Project

Project/Area Number 17K05762
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical chemistry
Research InstitutionKitasato University

Principal Investigator

Ishikawa Haruki  北里大学, 理学部, 教授 (80261551)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2019: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2017: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Keywords水素結合 / 冷却イオントラップ / 赤外誘起異性化 / 光解離分光 / クラスター / 構造揺らぎ / 水素結合ネットワーク / 構造変化 / 異性化 / 赤外励起 / 冷却トラップ / クラスター化学 / 温度効果
Outline of Final Research Achievements

One of unique properties of water is network structures due to hydrogen bonds and their structural fluctuations. In this study, we performed a bottom-up approach from a viewpoint of molecular clusters to structural fluctuations of the hydrogen bond networks. In clusters, structural fluctuations can be observed as isomerization of clusters. Thus, we tried to perform a direct observation of infrared-induced isomerizations of hydrogen-bonded clusters containing phenol cations. As a result, we succeeded in capturing the structural change from a cyclic hydrogen bond structure to a chain structure and reverse process of from a chain to a cyclic hydrogen bond structures by cooling process. This result can be expected for future development.

Academic Significance and Societal Importance of the Research Achievements

水は最もなじみがある液体であるが,他の液体と比べると特異な性質をもっている。その多くは水素結合に由来している。水素結合はネットワーク構造をとり,さらにその構造が熱運動で揺らいでいる。この構造揺らぎを本質的に理解するためには,分子1個1個のレベルでの挙動を明らかにすることが不可欠である。凝集系における構造揺らぎの理解まではまだ多くのステップがあるが,本研究は,その入り口となる分子クラスターにおける水素構造変化を明確に捕らえることに成功したという点で,意義があるものと考えている。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (15 results)

All 2019 2018 2017

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 1 results) Presentation (13 results) (of which Int'l Joint Research: 7 results,  Invited: 3 results)

  • [Journal Article] Temperature Effect on the Microscopic Hydrogen-Bond Networks Investigated from the Viewpoint of the Gas-Phase Molecular Cluster2018

    • Author(s)
      Ishikawa Haruki
    • Journal Title

      Molecular Science

      Volume: 12 Issue: 1 Pages: A0101

    • DOI

      10.3175/molsci.12.A0101

    • NAID

      130007458228

    • ISSN
      1881-8404
    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Quantitative Temperature Dependence of the Microscopic Hydration Structures Investigated by Ultraviolet Photodissociation Spectroscopy of Hydrated Phenol Cations2017

    • Author(s)
      Ishikawa Haruki、Kurusu Itaru、Yagi Reona、Kato Ryota、Kasahara Yasutoshi
    • Journal Title

      Journal of Physical Chemistry Letters

      Volume: 8 Issue: 11 Pages: 2541-2546

    • DOI

      10.1021/acs.jpclett.7b01165

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Presentation] IR-induced change in the microscopic hydration structures of phenol cations trapped in the cold ion trap2019

    • Author(s)
      Hikaru SATO, Masayoshi Ozeki, Yasutoshi KASAHARA, Haruki ISHIKAWA
    • Organizer
      The 74th International Symposium on Molecular Spectroscopy
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] フェノールカチオンの微視的水素結合構造に対する温度効果2019

    • Author(s)
      折戸雅隆・鈴木圭汰・佐藤 光・笠原康利・石川春樹
    • Organizer
      第13回分子科学討論会2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] 赤外-紫外二重共鳴分光法を用いた水和フェノールカチオンの赤外分光2019

    • Author(s)
      尾関将義・折戸雅隆・佐藤 光・笠原 康利・石川春樹
    • Organizer
      第13回分子科学討論会2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] Temperature dependence on the microscopic hydrogen-bond network of hydrogen-bonded phenol cation clusters2019

    • Author(s)
      Haruki ISHIKAWA
    • Organizer
      WRHI International Workshop on Advanced Laser Spectroscopy for Soft Molecular Systems
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 気相分子クラスターイオンにおける微視的水素結合構造に対する温度効果2019

    • Author(s)
      石川春樹
    • Organizer
      日本分光学会中国四国支部 広島地区講演会
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] Observation of IR-induced isomerization of cold hydrated phenol cation2018

    • Author(s)
      Hikaru SATO, Ryota KATO, Yasutoshi KASAHARA, Haruki ISHIKAWA
    • Organizer
      第34回化学反応討論会
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Temperature dependence of hydrogen-bonded structures of phenol cation investigated by UV photodissociation spectroscopy2018

    • Author(s)
      Itaru KURUSU, Reona YAGI, Ryota KATO, Hikaru SATO, Masataka ORITO, Yasutoshi KASAHARA, Haruki ISHIKAWA
    • Organizer
      The 73rd International Symposium on Molecular Spectroscopy
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Observation of the IR-induced isomerization of hydrated phenol cations trapped in the cold ion trap2018

    • Author(s)
      Hikaru SATO, Ryota KATO, Yasutoshi KASAHARA, Haruki ISHIKAWA
    • Organizer
      The 73rd International Symposium on Molecular Spectroscopy
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] 冷却イオントラップに捕捉した水和フェノールカチオンの赤外誘起水和構造変化2018

    • Author(s)
      佐藤 光・笠原康利・石川春樹
    • Organizer
      第12回分子科学討論会2018
    • Related Report
      2018 Research-status Report
  • [Presentation] 冷却イオントラップを用いた水和フェノールカチオンの赤外誘起異性化の観測2018

    • Author(s)
      佐藤 光・加藤凌太・笠原康利・石川春樹
    • Organizer
      研究発表(2018年) 第18回分子分光研究会
    • Related Report
      2017 Research-status Report
  • [Presentation] Observation of the IR-Induced Isomerization of Hydrated Phenol Cations Trapped in the Cold Ion Trap2018

    • Author(s)
      Hikaru Sato, Ryota Kato, Yasutoshi Kasahara, Haruki Ishikawa
    • Organizer
      73rd International Symposium on Molecular Spectroscopy
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 赤外励起による水和フェノールカチオンの水和構造変化の観測2017

    • Author(s)
      佐藤 光・加藤凌太・笠原康利・石川春樹
    • Organizer
      第11回分子科学討論会2017
    • Related Report
      2017 Research-status Report
  • [Presentation] Quantitative investigation on the temperature dependence of the microscopic hydration structure of the phenol cation2017

    • Author(s)
      Haruki Ishikawa
    • Organizer
      WRHI International Workshop on Advanced Laser Spectroscopy for Soft Molecular Systems
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited

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Published: 2017-04-28   Modified: 2021-02-19  

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