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Elucidation of intramolecular electron transfer reaction in supercritical water by using the ultrafast spectroscopy and theoretical analysis

Research Project

Project/Area Number 19350010
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionKyoto University

Principal Investigator

KIMURA Yoshifumi  Kyoto University, 大学院・理学研究科, 准教授 (60221925)

Co-Investigator(Kenkyū-buntansha) SATO Hirofumi  京都大学, 大学院・工学研究科, 准教授 (70290905)
Project Period (FY) 2007 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥20,150,000 (Direct Cost: ¥15,500,000、Indirect Cost: ¥4,650,000)
Fiscal Year 2009: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2008: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2007: ¥11,960,000 (Direct Cost: ¥9,200,000、Indirect Cost: ¥2,760,000)
Keywords超臨界水 / 電荷移動反応 / 超高速レーザー分光 / ラマン分光 / RISM-SCF / 振動緩和 / 電子移動 / 超高速過渡吸収 / 電荷移動 / 超高速分光
Research Abstract

In order to clarify the specialties of water above the gas-liquid critical temperature (supercritical water), we have selected the molecules which shows the intra-molecular charge-transfer as target, and studied the electronic states, structure, and electron transfer dynamics which is induced by the photo-excitation, using various kinds of laser spectroscopy and theoretical calculations. We have clarified for the first time the hydrogen-bonding between solute and solvent in protic supercritical fluids, and the details of the electron transfer reaction and the vibrational energy relaxation.

Report

(4 results)
  • 2009 Annual Research Report   Final Research Report ( PDF )
  • 2008 Annual Research Report
  • 2007 Annual Research Report
  • Research Products

    (40 results)

All 2010 2009 2008 2007 Other

All Journal Article (18 results) (of which Peer Reviewed: 18 results) Presentation (20 results) Remarks (2 results)

  • [Journal Article] Aqueous Solvation of p-aminobenzonitrile in the Excited States: A Molecular Level Theory on Density Dependence2010

    • Author(s)
      D. Yokogawa, H. Sato, S. Sakaki, Y. Kimura
    • Journal Title

      J. Phys. Chem. B. 114(2)

      Pages: 910-914

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] The spectroscopic study on solvation of charge transfer molecules in supercritical water2010

    • Author(s)
      K. Osawa, T. Fujisawa, M. Terazima, Y. Kimura
    • Journal Title

      J. Phys. Conf. Ser. 215(1)

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Vibrational energy relaxation of perylene in supercritical alcohols2010

    • Author(s)
      I. Kobayashi, S. Nagao, M. Terazima, Y. Kimura
    • Journal Title

      J. Phys. Conf. Ser. 215(1)

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] The spectroscopic study on solvation of charge transfer molecules in supercritical water2010

    • Author(s)
      K.Osawa, T.Fujisawa, M.Terazima, Y.Kimura
    • Journal Title

      Journal of Physics, Conference Series 215

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Vibrational energy relaxation of perylene in supercritical alcohols2010

    • Author(s)
      I.Kobayashi, S.Nagao, M.Terazima, Y.Kimura
    • Journal Title

      Journal of Physics, Conference Series 215

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Aqueous Solvation of p-aminobenzonitrile in the Excited States : A Molecular Level Theory on Density Dependence2010

    • Author(s)
      D.Yokogawa, H.Sato, S.Sakaki, Y.Kimura
    • Journal Title

      Journal of Physical Chemistry B 114

      Pages: 910-914

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 超臨界流体を用いた貴金属超微粒子の合成2010

    • Author(s)
      木村佳文・原田雅史
    • Journal Title

      高圧力の科学と技術 20

      Pages: 11-18

    • NAID

      10026122043

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ラマンスペクトルからみたイオン液体・超臨界水の溶媒和2009

    • Author(s)
      木村佳文
    • Journal Title

      分子シミュレーション研究会会誌アンサンブル 11(2)

      Pages: 8-13

    • NAID

      130004964802

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Raman spectroscopic study on the solvation of p-aminobenzonitrile in supercritical water and alcohols2009

    • Author(s)
      K. Osawa, T. Hamamoto, T. Fujisawa, M. Terazima, H, Sato, Y. Kimura
    • Journal Title

      J. Phys. Chem. A 113(13)

      Pages: 3143-3154

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] ラマンスペクトルからみたイオン液体・超臨界水の溶媒和2009

    • Author(s)
      木村佳文
    • Journal Title

      分子シミュレーション研究会会誌アンサンブル 11

      Pages: 8-13

    • NAID

      130004964802

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Raman spectroscopic study on the solvation of p-aminobenzonitrile in supercritical water and alcohols2009

    • Author(s)
      K. Osawa, T. Hamamoto, T. Fujisawa, M. Terazima, H, Sato, Y. Kimura
    • Journal Title

      Journal of Physical Chemistry A 113

      Pages: 3143-3154

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Resonance and non-resonance Raman spectroscopic measurements of solvatochromic probe molecules in sunercritical water2009

    • Author(s)
      Yoshifumi Kimura, Tomotsumi Fujisawa, Koji Osawa, Masahide Terazima
    • Journal Title

      Proceedings of the 15th international conference on the propertiesof water and steam (in press)

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ラマンスペクトルからみたイオン液体・超臨界水の溶媒和2009

    • Author(s)
      木村佳文
    • Journal Title

      分子シミュレーション研究会会誌"アンサンブル" 11(印刷中)

    • NAID

      130004964802

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Solvent effects on the local structure of p-nitroaniline in supercritical water and supercritical alcohols2008

    • Author(s)
      T. Fujisawa, M. Terazima, Y. Kimura
    • Journal Title

      J. Phys. Chem. A 112(24)

      Pages: 5515-5526

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Solvent Effects on the Local Structure of p-Nitroaniline in Supercritical Water and Supercritical Alcohols2008

    • Author(s)
      T. Fujisawa, M. Terazima, Y. Kimura
    • Journal Title

      Journal of Physical Chemistry A 112

      Pages: 5515-5526

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 過渡回折格子法による流体中の振動緩和過程に関する研究2008

    • Author(s)
      木村佳文
    • Journal Title

      Molecular Science 2

    • NAID

      130002126189

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Raman spectroscopic study of the solvation of decafluorobenzeophenone ketyl radical and related compounds in 2-propanol at ambient to supercritical temperature2008

    • Author(s)
      T. Fujisawa, T. Ito, M. Terazima, and Y. Kimura
    • Journal Title

      Journal of Physical Chemistry A 112

      Pages: 1914-1921

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Solvent Effects on the Local Structure of p-Nitroaniline in Supercritical Water and Supercritical Alcohols2008

    • Author(s)
      T. Fujisawa, M. Terazima, and Y. Kimura
    • Journal Title

      Journal of Physical Chemistry A in press

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Presentation] 超臨界水中での超高速逆電子移動反応過程の観測2009

    • Author(s)
      大澤浩二, 寺嶋正秀, 木村佳文
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      朱鷺メッセ、新潟
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Coronene-Transition Metal complex: view from quantum chemistry and statistical mechanics for solvation effect2009

    • Author(s)
      H. Sato, C. Kikumori, S. Sakaki
    • Organizer
      International Conference of Computational Methods in Sciences and Engineering
    • Place of Presentation
      Rhodes, Greece(Invited)
    • Related Report
      2009 Final Research Report
  • [Presentation] Spectroscopic Study of Solvation in Supercritical Water and Supercritical Methanol2009

    • Author(s)
      K. Osawa, T. Fujisawa, M. Terazima, Y. Kimura
    • Organizer
      Joint AIRAPT-22 & HPCJ-50, International Conference on High Pressure Science and Technology
    • Place of Presentation
      Odaiba, Tokyo
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Vibrational Energy Relaxation of Perylene in Supercritical Alcohols2009

    • Author(s)
      S.Nagao, I.Kobayashi, M.Terazima, Y.Kimura
    • Organizer
      Joint AIRAPT-22 & HPCJ-50, International Conference on High Pressure Science and Technology
    • Place of Presentation
      Odaiba, Tokyo
    • Related Report
      2009 Annual Research Report
  • [Presentation] 超臨界水中におけるp-ニトロアニリンの分子内電荷移動ダイナミクス2009

    • Author(s)
      大澤浩二, 寺嶋正秀, 木村佳文
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Related Report
      2009 Annual Research Report
  • [Presentation] 超臨界アルコール中でのペリレンの振動緩和の再検討2009

    • Author(s)
      小林一成, 寺嶋正秀, 木村佳文
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Related Report
      2009 Annual Research Report
  • [Presentation] Coronene-Transition Metal complex : view from quantum chemistry and statistical mechanics for solvation effect2009

    • Author(s)
      H.Sato, C.Kikumori, S.Sakaki
    • Organizer
      International Conference of Computational Methods in Sciences and Engineering
    • Place of Presentation
      Rhodes, Greece
    • Related Report
      2009 Annual Research Report
  • [Presentation] 超臨界水中におけるp-アミノベンゾニトリルの溶媒和2008

    • Author(s)
      大澤浩二, 濱本拓也, 藤澤知績, 寺嶋正秀, 木村佳文
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] p-ニトロアニリンN0_2伸縮振動モードの溶媒依存性について2008

    • Author(s)
      藤澤知績, 寺嶋正秀, 木村佳文
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] Resonance and non-Resonance Raman Spectroscopic Measurements of Solvatochromic Probe Molecules in Supercritical Water2008

    • Author(s)
      Yoshifumi Kimura, Tomotsumi Fujisawa, Koji Osawa, Masahide Terazima
    • Organizer
      15th International Conference on the Properties of Water and Steam
    • Place of Presentation
      Berlin Germany
    • Year and Date
      2008-09-09
    • Related Report
      2008 Annual Research Report
  • [Presentation] 過渡回折格子法を用いたアズレン誘導体の振動エネルギー緩和に関する研究 : 1-アルキルアズレンと架橋アズレン-アント2008

    • Author(s)
      藤原洋規, 宮島徹, 寺嶋正秀, 俣野善博, 木村佳文
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      北海道大学
    • Year and Date
      2008-06-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] 超臨界水中におけるp-アミノベンゾニトリルの溶媒和2008

    • Author(s)
      大澤浩二, 濱本拓也, 藤澤知績, 寺嶋正秀, 木村佳文
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場, 福岡
    • Related Report
      2009 Final Research Report
  • [Presentation] Raman Spectroscopic Study on the solvation in supercritical water and supercritical alcohols2008

    • Author(s)
      Y. Kimura, K. Osawa, T. Fujisawa, M. Terazima
    • Organizer
      EMLG/JMLG Annual Meeting 2008
    • Place of Presentation
      Lisboa, Portugal
    • Related Report
      2009 Final Research Report 2008 Annual Research Report
  • [Presentation] Spectroscopic Study on Solvation, Reaction and Molecular Dynamics in Supercritical Fluids2007

    • Author(s)
      Y. Kimura
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka Univ. Fukuoka
    • Year and Date
      2007-11-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Time-Resolved Raman Study on the Solvation of Transient Radical in Supercritical 2-Propanol2007

    • Author(s)
      Y. Kimura, T. Fujisawa, T. Ito, M. Terazima
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka Univ. Fukuoka
    • Year and Date
      2007-11-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Raman Spectroscopic Study on the Solvation of p-Aminobenzonitrile in Supercritical Water and Supercritical Supercritical Methanol by Raman Spectroscopy2007

    • Author(s)
      K. Osawa, T. Hamamoto, T. Fujisawa, M. Terazima, Y. Kimura
    • Organizer
      Joint Conference ofJMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka Univ. Fukuoka
    • Year and Date
      2007-11-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] 超臨界メタノール中でのペリレンの振動緩和2007

    • Author(s)
      木村佳文・長尾智史・寺嶋正秀
    • Organizer
      第一回分子科学会討論会
    • Place of Presentation
      東北大学、仙台
    • Year and Date
      2007-09-19
    • Related Report
      2007 Annual Research Report
  • [Presentation] 時間分解共鳴ラマンで見る超臨界アルコール中の反応中間体の溶媒和2007

    • Author(s)
      藤澤知績・伊藤貴紀・寺嶋正秀・木村佳文
    • Organizer
      第一回分子科学会討論会
    • Place of Presentation
      東北大学、仙台
    • Year and Date
      2007-09-19
    • Related Report
      2007 Annual Research Report
  • [Presentation] ラマン分光法からみた超臨界水および超臨界アルコール中でp-アミノベンゾニトリルの溶媒和2007

    • Author(s)
      大澤浩二・濱本拓也・藤澤知績・寺嶋正秀・木村佳文
    • Organizer
      第一回分子科学会討論会
    • Place of Presentation
      東北大学、仙台
    • Year and Date
      2007-09-19
    • Related Report
      2007 Annual Research Report
  • [Presentation] Spectroscopic Study on Solvation, Reaction and Molecular Dynamics in Supercritical Fluids2007

    • Author(s)
      Y. Kimura
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka, Japan(Invited)
    • Related Report
      2009 Final Research Report
  • [Remarks]

    • URL

      http://kuchem.kyoto-u.ac.jp/hikari/Kimra0806/index.htm

    • Related Report
      2009 Final Research Report
  • [Remarks]

    • URL

      http://kuchem.kyoto-u.ac.jp/hikari/Kimra0806/index.htm

    • Related Report
      2009 Annual Research Report

URL: 

Published: 2007-04-01   Modified: 2016-04-21  

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