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Understanding the nature of ionic liquid through intermolecular vibrations by time-domain vibrational spectroscopy

Research Project

Project/Area Number 19K05382
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 32010:Fundamental physical chemistry-related
Research InstitutionChiba University

Principal Investigator

Shirota Hideaki  千葉大学, 大学院理学研究院, 准教授 (00292780)

Project Period (FY) 2019-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2021: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000)
Fiscal Year 2020: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2019: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywordsフェムト秒ラマン誘起カー効果分光 / イオン液体 / 低振動数スペクトル / 分子間振動 / 液体物性 / 溶液 / 分子液体 / リドカイン塩酸塩水溶液 / 低振動数ラマンスペクトル / テラヘルツ時間領域分光
Outline of Research at the Start

本研究では,環境や安全性の点から近年注目されているイオン液体の分子間振動を時間領域低振動分光で測定する。イオン液体の特徴的な性質は分子間相互作用・運動に依るところが大きい。分子間振動は微視的な分子間相互作用・運動のプローブとなるため,その評価を行うことはイオン液体の本質的な理解に繋がる。そこで,イオン液体の(i)分子間振動スペクトル,(ii)分子間振動バンドの振動周波数と液体バルク物性因子との関係,(iii)分子間振動の分極率と双極子応答,について一般的な分子液体や芳香族と非芳香族性イオン液体の比較を行い,分子間相互作用・運動にどのような特徴があるのか,という根本的な疑問点を明らかにする。

Outline of Final Research Achievements

In this research project period, we successfully reported a collection of the low-frequency Raman spectra of 40 nonaromatic cation-based ionic liquids via femtosecond Raman-induced Kerr effect spectroscopy. In 2016, we reported a collection of the low-frequency Raman spectra of 40 aromatic cation-based ionic liquids supported by the previous research grant. Based on these collections of the low-frequency Raman spectra of ionic liquids, we addressed the overall picture of the intermolecular vibrations in ionic liquids, as well as the key roles of the constituent ion species. In addition, we published two book chapters as reviews of the temperature dependence of the low-frequency spectrum in ionic liquids and the low-frequency Raman spectra of molecular and ionic liquids in this project period.

Academic Significance and Societal Importance of the Research Achievements

本研究の大きな成果である40種の非芳香族系イオン液体の低振動数ラマンスペクトルの膨大なデータの報告は,世界的に初めてのものである。このような膨大なデータに基づいた俯瞰的な視点により,イオン液体の低振動数スペクトルについての分子レベルに基づいた理解が可能となった。よって,液体・溶液分野,物理化学分野,材料科学分野において重要な財産ともいえるものである。また,本研究期間において,イオン液体の低振動数スペクトルの温度依存性および分子液体とイオン液体の低振動数ラマンスペクトルについて,それぞれ総説として書籍の1章として発表できたことは,広く社会にその研究成果を還元できたと考える。

Report

(4 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Research-status Report
  • 2019 Research-status Report
  • Research Products

    (37 results)

All 2022 2021 2020 2019 Other

All Journal Article (7 results) (of which Peer Reviewed: 7 results) Presentation (25 results) (of which Int'l Joint Research: 7 results,  Invited: 7 results) Book (2 results) Remarks (3 results)

  • [Journal Article] Intermolecular Dynamics and Structure in Aqueous Lidocaine Hydrochloride Solutions2022

    • Author(s)
      Shirota Hideaki、Yanase Keiichi、Ogura Taiki、Sato Takaaki
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 126 Issue: 8 Pages: 1787-1798

    • DOI

      10.1021/acs.jpcb.1c10504

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Low-Frequency Spectra of 1-Methyl-3-octylimidazolium Tetrafluoroborate Mixtures with Poly(ethylene glycol) by Femtosecond Raman-Induced Kerr Effect Spectroscopy2021

    • Author(s)
      Ando Masatoshi、Shirota Hideaki
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 125 Issue: 43 Pages: 12006-12019

    • DOI

      10.1021/acs.jpcb.1c07079

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anion Effects on the Mixing States of 1-Methyl-3-octylimidazolium Tetrafluoroborate and Bis(trifluoromethylsulfonyl)amide with Methanol, Acetonitrile, and Dimethyl Sulfoxide on the Meso- and Microscopic Scales2021

    • Author(s)
      Takamuku Toshiyuki、Tashiro Atsuya、Kawano Masahiro、Ando Masatoshi、Ogawa Akira、Sadakane Koichiro、Iwase Hiroki、Shirota Hideaki
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 125 Issue: 51 Pages: 13896-13907

    • DOI

      10.1021/acs.jpcb.1c08001

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ultrafast Dynamics in Nonaromatic Cation Based Ionic Liquids: A Femtosecond Raman-Induced Kerr Effect Spectroscopic Study2020

    • Author(s)
      Hideaki Shirota, Masatoshi Ando, Shohei Kakinuma, Kotaro Takahashi
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 93 Issue: 12 Pages: 1520-1539

    • DOI

      10.1246/bcsj.20200198

    • NAID

      130007955966

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Low-Frequency Spectra of 1-Methyl-3-octylimidazolium Tetrafluoroborate Mixtures with Methanol, Acetonitrile, and Dimethyl Sulfoxide: A Combined Study of Femtosecond Raman-Induced Kerr Effect Spectroscopy and Molecular Dynamics Simulations2020

    • Author(s)
      Masatoshi Ando, Masahiro Kawano, Atsuya Tashiro, Toshiyuki Takamuku, Hideaki Shirota
    • Journal Title

      J. Phys. Chem. B

      Volume: 124 Issue: 36 Pages: 7857-7871

    • DOI

      10.1021/acs.jpcb.0c04870

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Low-Frequency Vibrational Motions of Polystyrene in Carbon Tetrachloride: Comparison with Model Monomer and Dependence on Concentration and Molecular Weight2020

    • Author(s)
      Shirota Hideaki, Moriyama Katsuhiko
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 124 Issue: 10 Pages: 2006-2016

    • DOI

      10.1021/acs.jpcb.9b10672

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Liquid Properties of Ionic Liquids Based on Phosphonium Cations with (Alkylthio)alkyl Groups2019

    • Author(s)
      Shirota Hideaki, Takahashi Kotaro, Ando Masatoshi, Kakinuma Shohei
    • Journal Title

      Journal of Chemical & Engineering Data

      Volume: 64 Issue: 11 Pages: 4701-4707

    • DOI

      10.1021/acs.jced.9b00033

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Presentation] Low-Frequency Spectra of Phosphonium-Based Ionic Liquids Having Pentyl, Ethoxyethyl or 2-(Ethylthio)ethyl Group2022

    • Author(s)
      Masatoshi Ando, Kaoru Ohta, Tateki Ishida, Keisuke Tominaga, Hideaki Shirota
    • Organizer
      16th Trombay Symposium on Radiation and Photochemistry
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Effects of Formamides on Intermolecular Vibrations of 1-Methyl-3-octylimidazolium Tetrafluoroborate2022

    • Author(s)
      Masatoshi Ando, Yue Peng, Astuya Tashiro, Masahiro Kawano, Toshiyuki Takamuku, Hideaki Shirota
    • Organizer
      日本化学会第102春季年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 水溶液中の芳香族化合物の分子間振動の温度依存性:濃度による効果2022

    • Author(s)
      清水柾子、城田秀明
    • Organizer
      日本化学会第102春季年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] イオン液体とイオン液体-アルカン混合溶液の粘度とガラス転移温度の比較2022

    • Author(s)
      彭越、ファルコンダリオルーベン、城田秀明
    • Organizer
      日本化学会第102春季年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 四塩化炭素中のポリスチレンの低振動数スペクトル:濃度依存性と分子量依存性2021

    • Author(s)
      城田秀明、森山克彦
    • Organizer
      東京大学物性研究所短期研究会「ガラスおよび関連する複雑系の最先端研究」
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Heavy Atom Substitution Effects on Liquid Properties of Ionic Liquids2021

    • Author(s)
      Hideaki Shirota, Masatoshi Ando
    • Organizer
      XXII SINAQO
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 1-メチル-3-オクチルイミダゾリウムテトラフルオロボレートの分子間振動におけるポリエチレングリコールの影響2021

    • Author(s)
      安藤雅俊、城田秀明
    • Organizer
      第15回分子科学討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 水溶液中の芳香族化合物の分子間ダイナミクスに与える電荷の影響2021

    • Author(s)
      清水柾子、城田秀明
    • Organizer
      第15回分子科学討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] フェムト秒光カー効果分光による水溶液中の芳香族分子とイオンの分子間ダイナミクス2021

    • Author(s)
      清水柾子、城田秀明
    • Organizer
      2021年度日本分光学会年次講演会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 1-メチル-3-オクチルイミダゾリウムテトラフルオロボレート/ホルムアミド系分子液体混合系の低振動数スペクトル2021

    • Author(s)
      安藤雅俊、彭越、田代篤也、河野雅大、高椋利幸、城田秀明
    • Organizer
      第43回溶液化学シンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] 水溶液中における芳香族化合物の分子間振動:電荷の影響2021

    • Author(s)
      清水柾子、城田秀明
    • Organizer
      日本化学会第101春季年会
    • Related Report
      2020 Research-status Report
  • [Presentation] リライン-水混合系の液体物性と低振動数スペクトル2021

    • Author(s)
      CAO Mengjun、城田秀明
    • Organizer
      日本化学会第101春季年会
    • Related Report
      2020 Research-status Report
  • [Presentation] 1 メチル 3 オクチルイミダゾリウムテトラフルオロボレート 及びオクチルイミダゾールの分子間振動における ポリエチレングリコール添加の影響2020

    • Author(s)
      安藤雅俊、城田秀明
    • Organizer
      溶液化学研究会若手の会 オンラインシンポジウム
    • Related Report
      2020 Research-status Report
  • [Presentation] Ultrafast Dynamics of Polystyrene in CCl4 Studied by fs Raman-Induced Kerr Effect Spectroscopy2020

    • Author(s)
      Hideaki Shirota, Katsuhiko Moriyama
    • Organizer
      15th Trombay Symposium on Radiation & Photochemistry
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] ポリスチレン溶液の低振動数スペクトルにおける濃度依存性と分子量依存性2020

    • Author(s)
      城田秀明, 森山克彦
    • Organizer
      日本化学会第100春季年会
    • Related Report
      2019 Research-status Report
  • [Presentation] Physical Properties of Ionic Liquid-Poly(Ethylene Glycol) Mixtures: Comparing with a Neutral Analog of its Cation2020

    • Author(s)
      Masatoshi Ando, Hideaki Shirota
    • Organizer
      日本化学会第100春季年会
    • Related Report
      2019 Research-status Report
  • [Presentation] Intermolecular Vibrations of Room Temperature Ionic Liquids Studied by Femtosecond Raman-Induced Kerr Effect Spectroscopy2019

    • Author(s)
      Hideaki Shirota
    • Organizer
      4th International Conference on Applied Physics
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Temperature Dependent Features of Low-Frequency Spectra of Ionic Liquids Studied by Femtosecond Raman-Induced Kerr Effect Spectroscopy2019

    • Author(s)
      Hideaki Shirota
    • Organizer
      7th International Congress on Microscopy & Spectroscopy
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Characterizations of novel ionic liquids based on phosphonium cations with (alkylthio)alkyl groups2019

    • Author(s)
      Hideaki Shirota
    • Organizer
      EMLG-JMLG (European & Japanese Molecular Liquid Groups) Annual Meeting 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Low-frequency spectra of 1-methyl-3-octylimidazolium tetrafluoroborate mixtures with methanol, acetonitrile, and dimethyl sulfoxide2019

    • Author(s)
      Masatoshi Ando, Atsuya Tashiro, Toshiyuki Takamuku, Hideaki Shirota
    • Organizer
      EMLG-JMLG (European & Japanese Molecular Liquid Groups) Annual Meeting 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] イオン液体の低振動数スペクトルにおける分子液体添加の影響2019

    • Author(s)
      安藤雅俊, 城田秀明
    • Organizer
      第9回CSJ化学フェスタ2019
    • Related Report
      2019 Research-status Report
  • [Presentation] フェムト秒ラマン誘起カー効果分光による液体・溶液の分子間振動に関する研究2019

    • Author(s)
      城田秀明
    • Organizer
      第42回溶液化学シンポジウム
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] フェムト秒ラマン誘起カー効果分光でみる水溶液中のヨウ素イオンの状態2019

    • Author(s)
      城田秀明, 川本裕之, 浅倉聡
    • Organizer
      第42回溶液化学シンポジウム
    • Related Report
      2019 Research-status Report
  • [Presentation] 1-メチル-3-オクチルイミダゾリウムテトラフルオロボレート-分子液体混合系の低振動数スペクトル: メタノール,アセトニトリル,ジメチルスルホキシドの比較2019

    • Author(s)
      安藤雅俊, 田代篤也, 高椋利幸, 城田秀明
    • Organizer
      第42回溶液化学シンポジウム
    • Related Report
      2019 Research-status Report
  • [Presentation] イミダゾリウム系イオン液体C8mimBF4と種々のアミド分子との微視的相互作用2019

    • Author(s)
      田代篤也, 安藤雅俊, 貞包浩一郎, 岩瀬祐希, 城田秀明, 高椋利幸
    • Organizer
      第42回溶液化学シンポジウム
    • Related Report
      2019 Research-status Report
  • [Book] "Intermolecular Vibrations in Aprotic Molecular Liquids and Ionic Liquids" (Chapter 7) in Molecular Basics of Liquids and Liquid-Based Materials2022

    • Author(s)
      Hideaki Shirota
    • Publisher
      Springer
    • ISBN
      9789811653940
    • Related Report
      2021 Annual Research Report
  • [Book] "Temperature-Dependent Features in Low-Frequency Spectra of Ionic Liquids" (Chapter 5) in Theoretical and Computational Approaches to Predicting Ionic Liquid Properties2020

    • Author(s)
      Hideaki Shirota, Shohei Kakinuma
    • Publisher
      Elsevier
    • ISBN
      9780128202807
    • Related Report
      2020 Research-status Report
  • [Remarks] 千葉大学 城田研究室

    • URL

      https://sites.google.com/view/shirota-lab/

    • Related Report
      2021 Annual Research Report
  • [Remarks] 千葉大学 城田研究室

    • URL

      https://sites.google.com/view/shirota-lab/home-jpn

    • Related Report
      2020 Research-status Report
  • [Remarks] 千葉大学大学院理学研究院化学研究部門 城田研究室

    • URL

      https://sites.google.com/view/shirota-lab/home-jpn

    • Related Report
      2019 Research-status Report

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Published: 2019-04-18   Modified: 2023-01-30  

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