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Dynamical molecular structure of the NO3 radical : a fundamental NOx molecule

Research Project

Project/Area Number 21550009
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionThe Graduate University for Advanced Studies

Principal Investigator

HIROTA Eizi  総合研究大学院大学, 学融合推進センター, 特任研究員 (30011464)

Co-Investigator(Kenkyū-buntansha) KAWAGUCHI Kentarou  岡山大学, 自然科学研究科, 教授 (40158861)
ISHIWATA Takashi  広島市立大学, 情報科学部, 教授 (40134811)
Project Period (FY) 2009 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2011: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2009: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
KeywordsNOx分子 / 硝酸ラジカル / 振電相互作用 / 赤外スペクトル / 動的分子構造 / 電的分子構造
Research Abstract

We have experimentally examined a theoretical proposal made by Stanton on the vibrational assignment and have established the traditional assignment to be correct. We have discovered the angular momenta along the symmetry axis, of the unpaired electron orbital and the degenerate vibrational motions to be coupled strongly, which is a most important vibronic coupling mechanism. We have succeeded in assigning some part of the B-X, 0-0 band, based upon ground-state combination differences of the transition frequencies and Zeeman effects.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (36 results)

All 2012 2011 2010 2009

All Journal Article (3 results) (of which Peer Reviewed: 3 results) Presentation (33 results)

  • [Journal Article] Fourier Transform Infrared spectroscopy of the v_3 hot band of NO_32011

    • Author(s)
      K.Kawaguchi, N.Shimizu, R.Fujimori, J.Tang, T.Ishiwata, I.Tanaka
    • Journal Title

      J.Mol.Spectrosc.

      Volume: 268 Issue: 1-2 Pages: 85-92

    • DOI

      10.1016/j.jms.2011.04.003

    • Related Report
      2011 Annual Research Report 2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Analyses of the Infrared Absorption Bands of<15>^NO_3 in the 1850-3150 cm^<-1> Region2010

    • Author(s)
      Takashi Ishiwata, Yukio Nakano, Kentarou Kawaguchi, Eizi Hirota, and Ikuzo Tanaka
    • Journal Title

      J. Phys. Chem. A

      Volume: 114 Issue: 2 Pages: 980-986

    • DOI

      10.1021/jp908386n

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Analyses of the Infrared Absorption Bands of ^<15>NO_3, in the 1850-3150cm^<-1> Region2010

    • Author(s)
      T.Ishiwata
    • Journal Title

      J.Phys.Chem.A 114

      Pages: 980-986

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Presentation] NO_3のSVL発光スペクトル2012

    • Author(s)
      福島勝 他
    • Organizer
      日本化学会第92春季年会
    • Place of Presentation
      慶應義塾大学日吉
    • Year and Date
      2012-03-26
    • Related Report
      2011 Annual Research Report 2011 Final Research Report
  • [Presentation] 電子基底状態のNO_3ラジカルの慣性欠損と振電相互作用2012

    • Author(s)
      廣田榮治
    • Organizer
      日本化学会第92春季年会
    • Place of Presentation
      慶應義塾大学日吉
    • Year and Date
      2012-03-26
    • Related Report
      2011 Annual Research Report 2011 Final Research Report
  • [Presentation] NO_3およびNO_2の超高分解能レーザー分光と磁場効果2011

    • Author(s)
      多田康平, 他
    • Organizer
      第5回分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2011-09-23
    • Related Report
      2011 Annual Research Report 2011 Final Research Report
  • [Presentation] 硝酸ラジカルNO_3における電子振動回転相互作用:電子基底状態の振動帰属2011

    • Author(s)
      廣田榮治
    • Organizer
      第5回分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2011-09-20
    • Related Report
      2011 Final Research Report
  • [Presentation] 硝酸ラジカルNO_3における電子振動回転相互作用:電子基底状態の振動帰属2011

    • Author(s)
      廣田榮治
    • Organizer
      第5回分子科学討論会
    • Place of Presentation
      札幌コンベンションセンター(招待講演)
    • Year and Date
      2011-09-20
    • Related Report
      2011 Annual Research Report
  • [Presentation] Rovibronic interactions in the NO_3 radical : vibrational assignmentin the ground electronic state2011

    • Author(s)
      Eizi Hirota
    • Organizer
      31st International Symposium on Free Radicals
    • Place of Presentation
      Port Douglas, Australia
    • Year and Date
      2011-07-28
    • Related Report
      2011 Final Research Report
  • [Presentation] Rovibronic interactions in the NO_3 radical : vibrational assignment in the ground electronic state2011

    • Author(s)
      Eizi Hirota
    • Organizer
      31^<st> International Symposium on Free Radicals
    • Place of Presentation
      Port Douglas, Australia
    • Year and Date
      2011-07-28
    • Related Report
      2011 Annual Research Report
  • [Presentation] Rotationally-resolved high resolution laser spectroscopy and the Zeeman effects of the B^2E-X^2A_2 transition of NO_32011

    • Author(s)
      Shunji Kasahara, et al
    • Organizer
      31st International Symposium on Free Radicals
    • Place of Presentation
      Port Douglas, Australia
    • Year and Date
      2011-07-25
    • Related Report
      2011 Final Research Report
  • [Presentation] Rotationally-resolved high-resolution laser spectroscopy and the Zeeman effects of the B^2E-X^2A_2 transition of NO_32011

    • Author(s)
      Shunji Kasahara
    • Organizer
      31^<st> International Symposium on Free Radicals
    • Place of Presentation
      Port Douglas, Australia
    • Year and Date
      2011-07-25
    • Related Report
      2011 Annual Research Report
  • [Presentation] Spectroscopic Studies on Free Radicals in the Gas Phase vs in the Matrix : A Recent Example of the NO_3 Radical2011

    • Author(s)
      Eizi Hirota
    • Organizer
      MATRIX2011, Chemistry and Physics of Matrix Isolated Species
    • Place of Presentation
      University of British Columbia, Vancouver, Canada
    • Year and Date
      2011-07-14
    • Related Report
      2011 Final Research Report
  • [Presentation] Spectroscopic Studies on Free Radicals in the Gas Phase vs in the Matrix : A Recent Example of the NO_3 Radical2011

    • Author(s)
      Eizi Hirota
    • Organizer
      MATRIX2011, Chemistry and Physics of Matrix Isolated Species
    • Place of Presentation
      University of British Columbia, Vancouver, Canada(招待講演)
    • Year and Date
      2011-07-14
    • Related Report
      2011 Annual Research Report
  • [Presentation] 硝酸ラジカルNO_3のB-X遷移0-0バンドの超高分解能レーザー分光2011

    • Author(s)
      多田康平, 他
    • Organizer
      第11回分子分光研究会
    • Place of Presentation
      広島市立大学
    • Year and Date
      2011-05-21
    • Related Report
      2011 Annual Research Report 2011 Final Research Report
  • [Presentation] 電子基底状態における硝酸ラジカルNO_3の振動帰属2011

    • Author(s)
      廣田榮治, 他
    • Organizer
      日本化学会第91春季年会
    • Place of Presentation
      神奈川大学
    • Year and Date
      2011-03-27
    • Related Report
      2011 Final Research Report 2010 Annual Research Report
  • [Presentation] 硝酸ラジカルNO_3における電子振動回転相互作用とJahn-Teller効果2010

    • Author(s)
      廣田榮治, 他
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Related Report
      2011 Final Research Report
  • [Presentation] フーリエ変換赤外分光によるNO_3ラジカルのホットバンドの測定と解析2010

    • Author(s)
      清水奈津子, 他
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Related Report
      2011 Final Research Report 2010 Annual Research Report
  • [Presentation] 硝酸ラジカルNO_3のB-X遷移の超高分解能レーザー分光と磁場効果2010

    • Author(s)
      多田康平, 他
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Related Report
      2011 Final Research Report
  • [Presentation] 硝酸ラジカルNO3のB-X遷移の超高分解能レーザニ秀光と磁場効果2010

    • Author(s)
      多田康平
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Related Report
      2010 Annual Research Report
  • [Presentation] 硝酸ラジカルNO3における電子振動回転相互作用とJahn-Teller効果2010

    • Author(s)
      廣田榮治
    • Organizer
      第4回分子科学討論会2010
    • Place of Presentation
      大阪大学
    • Year and Date
      2010-09-16
    • Related Report
      2010 Annual Research Report
  • [Presentation] FTIR spectroscopy of NO_3 : Observation and analysis of the 1127 cm^<-1> band2010

    • Author(s)
      Kentarou Kawaguchi, et al
    • Organizer
      65th OSU International Symposium on Molecular Spectroscopy
    • Place of Presentation
      Ohio State University, Columbus, Ohio, U. S. A
    • Year and Date
      2010-06-23
    • Related Report
      2011 Final Research Report
  • [Presentation] Ultrahigh-resolution spectroscopy and the Zeeman effect of the B^2E←X^2A_2' transition of nitric randical NO_32010

    • Author(s)
      Shunji Kasahara, et al
    • Organizer
      65th OSU International Symposium on Molecular Spectroscopy
    • Place of Presentation
      Ohio State University, Columbus, Ohio, U. S. A.
    • Year and Date
      2010-06-23
    • Related Report
      2011 Final Research Report
  • [Presentation] Rovibronic interactions in NO_3 : Historical overview, present status and future prospect of high-resolution spectroscopic studies2010

    • Author(s)
      Eizi Hirota, et al
    • Organizer
      65th OSU International Symposium on Molecular Spectroscopy
    • Place of Presentation
      Ohio State University, Columbus, Ohio, USA.
    • Year and Date
      2010-06-23
    • Related Report
      2011 Final Research Report
  • [Presentation] Rovibronic interactions in N0_3 : Historical overview, present status and future prospect of high-resolution spectroscopic studies2010

    • Author(s)
      Eizi Hirota
    • Organizer
      65^<th> OSU International Symposium on MolecularSpectroscopy
    • Place of Presentation
      Ohio State University, Columbus, Ohio, U.S.A.
    • Year and Date
      2010-06-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] Ultrahigh-resolution spectroscopy and the Zeeman effect of the B^2E' ← X^2A_2' transition of nitrate radical NO_32010

    • Author(s)
      Shunji Kasahara
    • Organizer
      65^<th> OSU International Symposium on MolecularSpectroscopy
    • Place of Presentation
      Ohio State University, Columbus, Ohio, U.S.A.
    • Year and Date
      2010-06-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] FTIR spectroscopy of NO_3 : Observation and analysis of the 1127 cm^<-1> band2010

    • Author(s)
      Kentarou Kawaguchi
    • Organizer
      656 OSU International Symposium on MolecularSpectroscopy
    • Place of Presentation
      Ohio State University, Columbus, Ohio, U.S.A.
    • Year and Date
      2010-06-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] NO_3ラジカルにおける電子振動回転相互作用2010

    • Author(s)
      廣田榮治, 他
    • Organizer
      日本化学会第90回春季年会
    • Place of Presentation
      近畿大学
    • Year and Date
      2010-03-28
    • Related Report
      2011 Final Research Report
  • [Presentation] NO3ラジカルにおける電子振動回転相互作用2010

    • Author(s)
      廣田榮治
    • Organizer
      日本化学会第90回春季年会
    • Place of Presentation
      近畿大学
    • Year and Date
      2010-03-28
    • Related Report
      2009 Annual Research Report
  • [Presentation] High-resolution Infrared Spectrum of NO_3 and Vibrational Assignments2009

    • Author(s)
      川口建太郎
    • Organizer
      平成21年度日本分光学会年次講演会
    • Place of Presentation
      東京工業大学
    • Year and Date
      2009-11-18
    • Related Report
      2011 Final Research Report
  • [Presentation] High-resolution Infrared Spectrum of NO_3 and Vibrational Assignments2009

    • Author(s)
      川口建太郎
    • Organizer
      平成21年度日本分光学会年次講演会
    • Place of Presentation
      東京工業大学大岡山
    • Year and Date
      2009-11-18
    • Related Report
      2009 Annual Research Report
  • [Presentation] NO_3ラジカルのB-X遷移の超高分解能レーザー分光2009

    • Author(s)
      笠原俊二, 他
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-24
    • Related Report
      2011 Final Research Report 2009 Annual Research Report
  • [Presentation] Analyses of the infrared absorption bands of<15>^NO_3 in the 1850-3150 cm^<-1> region2009

    • Author(s)
      Takashi Ishiwata, et al
    • Organizer
      30th International Symposium on Free Radicals
    • Place of Presentation
      Savolinna, Finland
    • Year and Date
      2009-07-28
    • Related Report
      2011 Final Research Report
  • [Presentation] Analyses of the infrared absorption bands of ^<15>NO_3 in the 1850-3150cm^<-1> region2009

    • Author(s)
      石渡孝
    • Organizer
      30^<th> International Symposium on Free Radicals
    • Place of Presentation
      Savonlinna, Finland
    • Year and Date
      2009-07-28
    • Related Report
      2009 Annual Research Report
  • [Presentation] 同位体置換した硝酸ラジカル(<15>^NO_3)の赤外吸収バンドの解析2009

    • Author(s)
      石渡孝, 他
    • Organizer
      第9回分子分光研究会
    • Place of Presentation
      富山大学
    • Year and Date
      2009-05-16
    • Related Report
      2011 Final Research Report
  • [Presentation] 同位体置換した硝酸ラジカル(^<15>NO_3)の赤外吸収バンドの解析2009

    • Author(s)
      石渡孝
    • Organizer
      第9回分子分光研究会
    • Place of Presentation
      富山大学
    • Year and Date
      2009-05-16
    • Related Report
      2009 Annual Research Report

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Published: 2009-04-01   Modified: 2016-04-21  

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