Change of molecular structures and reactivities ofperoxy radicals induced by a formation of water complex.

• Project/Area Number: 19550006
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: The University of Tokyo
• Principal Investigator: SUMIYOSHI Yoshihiro The University of Tokyo, 大学院・総合文化研究科, 助教 (50291331)
• Project Period (FY): 2007 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000); Fiscal Year 2008: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000); Fiscal Year 2007: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
• Keywords: ラジカル / 分子間相互作用 / クラスター / マイクロ波分光

Research Abstract

ラジカル反応の詳細を理解する上では、ラジカルの分子間相互作用の詳細を知ることが不可欠である。そのための有力なアプローチの一つが、ラジカルクラスターの分光学的研究である。本研究では、大気化学反応や燃焼反応の重要な反応中間体であるOHラジカルやNOラジカルがAr原子と結合したラジカルクラスターの分光研究を行い、それらの詳細な分子間相互作用ポテンシャル曲面の決定を行った。その結果、これらのラジカル錯体には、静電相互作用だけでは説明できない特異な引力相互作用が存在する事を見出し、それがラジカルの不対電子の存在と密接に関連している事を見出した。
これらのラジカルクラスターについて系統的に希ガスを変える事で、分子間相互作用にどのような変化が生じるかを調べるために、Ar 原子をNeに変えたNe-NO についても同様の研究を行い、分子間相互作用ポテンシャルを決定した。その結果、Ne とNO 間においても、Ar-NO に見られたものと同様の引力相互作用が働いているがわかった。この結果は、Ar-NOで観測された特異な引力相互作用が希ガスによらずNOラジカルの不対電子に由来することを裏付けるものである。

Research Products

• [Journal Article] Fourier-transform microwave spectroscopy ofthe CCCCl radical (2009)
  • Author(s): Takashi Yoshikawa, Yoshihiro Sumiyoshi and Yasuki Endo
  • Journal Title: Journal of Chemical Physics 130 Pages: 94302-94302
  • Peer Reviewed
• [Journal Article] Gas-phase spectroscopy of the 2^3Σ^- -X^ 3Σ^ - electronic transition of CCS (2009)
  • Author(s): Masakazu Nakajima, Timothy W. Schmidt, Akira Miyoshi, YoshihiroSumiyoshi and Yasuki Endo
  • Journal Title: Journal of Chemical Physic 130 Pages: 14302-14302
  • Peer Reviewed
• [Journal Article] Gas-phase spectroscopy of the 23Σ-X3Σ electronic transion of CCS (2009)
  • Author(s): Masakazu Nakajima
  • Journal Title: Journal of Chemical Physics 130
  • Peer Reviewed
• [Journal Article] Fourier-transform microwave spectroscopy of the CCCCl radical (2009)
  • Author(s): Takashi Yoshikawa
  • Journal Title: Journal of Chemical Physics 130
  • Peer Reviewed
• [Journal Article] Analysis of the nuclear quadrupole interactionof Disulfur Dichloride, S_2Cl_2 (2008)
  • Author(s): Asao Mizoguchi, Shinji Ota, Hideto Kanamori, YoshihiroSumiyoshi and Yasuki Endo
  • Journal Title: Journal of Molecular Spectroscopy 250 Pages: 86-97
  • Peer Reviewed
• [Journal Article] Laser induced fluorescence spectroscopy of NC_3O (2008)
  • Author(s): Takashi Yoshikawa, Yoshihiro Sumiyoshi, Hideyuki Takada, kennosuke Hoshina and Yasuki Endo
  • Journal Title: Journal of Chemical Physics 128 Pages: 204308-204308
  • Peer Reviewed
• [Journal Article] Analysis of the nuclear quadrupole interaction of Disu1lfur Dichloride, S2Cl2 (2008)
  • Author(s): Asao Mizoguchi
  • Journal Title: Journal of Molecular Spectroscopy 250 Pages: 86-97
  • Peer Reviewed
• [Journal Article] Laser induced fluorescence spectroscopy of NC3O (2008)
  • Author(s): Takashi Yoshikawa
  • Journal Title: Journal of Chemical Physics 128
  • Peer Reviewed
• [Journal Article] Laser-induced fluorescence and purerotational spectroscopy of the CH_2CHS(vinylthio) radical (2007)
  • Author(s): Masakazu Nakajima, AkiraMiyoshi, Yoshihiro Sumiyoshi and Yasuki Endo
  • Journal Title: Journal of Chemical Physics 126 Pages: 44307-44307
  • Peer Reviewed
• [Journal Article] Direct observation of the D' 2g(^3P_2) - A' ^3Π(2_u) system for Cl_2 by laser-inducedfluorescence spectroscopy : determination of theabsolute position of the A' state (2007)
  • Author(s): TakashiYoshikawa, Yoshihiro Sumiyoshi and Yasuki Endo
  • Journal Title: Journal of Molecular Spectroscopy 241 Pages: 230-236
  • Peer Reviewed
• [Journal Article] Interplay of methyl-group internal rotationand fine and hyperfine interaction in a freeradical : Fourier transform microwavespectroscopy of acetyl radical (2007)
  • Author(s): Eizi Hirota, AsaoMizoguchi, Yasuhiro Ohshima, Kaoru Katoh, Yoshihiro Sumiyoshi and Yasuki Endo
  • Journal Title: Molecular Physics 105 Pages: 455-466
  • Peer Reviewed
• [Journal Article] Rotationally-resolved excitation spectrum ofjet-cooled cyclohexadienyl radical (2007)
  • Author(s): MasakazuNakajima, Timothy W. Schmidt, YoshihiroSumiyoshi and Yasuki Endo
  • Journal Title: Chemical Physics Letters 449 Pages: 57-62
  • Peer Reviewed
• [Journal Article] Intermolecular potential energy surface of Ar-NO (2007)
  • Author(s): Yoshihiro Sumiyoshi and Yasuki Endo
  • Journal Title: Journal of Chemical Physics 127 Pages: 184308-184308
  • Peer Reviewed
• [Journal Article] Intermolecular potential energy surface of Ar-NO (2007)
  • Author(s): Yoshihiro Sumiyoshi
  • Journal Title: Journal of Chemical Physics 127
  • Peer Reviewed
• [Journal Article] Laser-induced fluorescence and pure rotational spectroscopy of the CH2CHS radical (2007)
  • Author(s): Masakazu Nakajima
  • Journal Title: Journal of Chemical Physics 126
  • Peer Reviewed
• [Journal Article] Direct observation of the D'2g(3P2)-A'3Pi(2u) system for Cl2 by laser-induced fluorescence spectroscopy: determination of the absolute position of the A'state (2007)
  • Author(s): Takashi Yoshikawa
  • Journal Title: Journal of Molecular Spectroscopy 241 Pages: 230-236
  • Peer Reviewed
• [Journal Article] Interplay of methyl-group internal rotation and fine and hyperfine interaction in a free radical: Fourier transoform microwave spectroscopy of acetyl radical (2007)
  • Author(s): Eiji Hirota
  • Journal Title: Molecular Physics 105 Pages: 455-466
  • Peer Reviewed
• [Journal Article] Rotationally resolved excitation spectrum of jet-cooled cyclohexadienyl radical (2007)
  • Author(s): Masakazu Nakajima
  • Journal Title: Chemical Physics Letters 449 Pages: 57-62
  • Peer Reviewed
• [Presentation] 炭素鎖及び酸素鎖分子のフーリエ変換マイクロ波分光 (2009)
  • Author(s): 住吉 吉英
  • Organizer: 日本分光学会中国四国支部広島地区大会
  • Place of Presentation: 広島大学
  • Year and Date: 2009-01-21
• [Presentation] 炭素鎖及び酸素鎖分子のフーリエ変換マイクロ波分光 (2009)
  • Author(s): 住吉吉英
  • Organizer: 日本分光学会中国四国支部広島地区講演会2008〜星聞物質分光の最前線〜
  • Place of Presentation: 広島大学
  • Year and Date: 2009-01-21
• [Presentation] Ar-NOの分子間相互作用ポテンシャルの決定 (2007)
  • Author(s): 住吉 吉英
  • Organizer: 分子科学討論会
  • Place of Presentation: 東北大学
  • Year and Date: 2007-09-18
• [Presentation] Inter molecular potential energy surfaceof Ar-NO (2007)
  • Author(s): 住吉 吉英
  • Organizer: 29^<th> International symposium onfree radicals
  • Place of Presentation: アメリカ合衆国モンタナ州
  • Year and Date: 2007-08-12
• [Presentation] Inter molecular potential energy surface of Ar-NO (2007)
  • Author(s): Yoshihiro Sumiyoshi
  • Organizer: 29th International symposium on free radicals
  • Place of Presentation: アメリカ合衆国モンタナ州
  • Year and Date: 2007-08-12