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超音速分子線レーザー分光による包接化合物の分子取り込み機構の解明

Research Project

Project/Area Number 20050021
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionHiroshima University

Principal Investigator

江幡 孝之  Hiroshima University, 大学院・理学研究科, 教授 (70142924)

Co-Investigator(Kenkyū-buntansha) 井口 佳哉  広島大学, 大学院・理学研究科, 准教授 (30311187)
Project Period (FY) 2008 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,900,000)
Fiscal Year 2009: ¥1,900,000 (Direct Cost: ¥1,900,000)
Fiscal Year 2008: ¥2,000,000 (Direct Cost: ¥2,000,000)
Keywords分子認識 / 包接化合物 / 機能成分子 / 超音速分子線 / レーザー分光
Research Abstract

カリックス[4]アレン(C4A)とベンゾ-18-クラウン-6-エーテル(B18C6)をホスト分子,希ガスや水分子をゲストとした分子間錯体を形成し、錯体の構造を決定するとともに錯体形成におけるコンフォマー選択性の有無の検証や相互作用の特定を行った。超音速分子線中に内部温度得を冷却した分子間錯体に種々のレーザー分光を行い電子スペクトル、赤外スペクトル、解離エネルギーを測定し、得られたスペクトルや解離エネルギーを量子化学計算をもとに解析した。その結果,C4A-H_2O complexは水分子内包型構造(endo-structure)が外接型(exo-structure)に比べより安定で、C4Aと水分子は主として双極子-双極子相互作用で結ばれていることが明らかになった。我々はこの包接化合物を「水分子が入った世界最小のコップ」と名付けた。B18C6では、単体では超音速分子線中に4種類のコンフォマーが存在するが、水分子を包接すると1種類のコンフォマーのみに収束することを見出した。密度汎関数計算からまず水分子を含まない4つ単体のコンフォマーの構造を決定した。水分子を含んだB18C6では,赤外スペクトルと計算結果から、B18C6は水分子を2分子までbidentate型の水素結合で内包し、3個目以上の水分子はbidentate型で水素結合した水分子にドナー型で水素結合し大きな水素結合ネットワークを形成していくことが明らかになった。また、水分子包接時にコンフォマー特性を示すことを実験的に示すことができた。

Report

(2 results)
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (32 results)

All 2010 2009 2008

All Journal Article (9 results) (of which Peer Reviewed: 9 results) Presentation (23 results)

  • [Journal Article] The structure of the Calix[4]arene-(H_2O)cluster, world's smallest cup of water2010

    • Author(s)
      N.Hontama, et al.
    • Journal Title

      J.Phys. Chem. A. (in press Pub.in Web page, Aug.2009)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Excited-State Dynamics of the 2-Hydroxypyridine-Ammonia Complex2010

    • Author(s)
      M.Esboui, et al.
    • Journal Title

      J.Phys. Chem. A. (in press Pub.Web page, Dec.2009)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Encapsulation of Arn complexes by Calix[4]arene : Endo-vs.exo- complexes2010

    • Author(s)
      T.Ebata, et al.
    • Journal Title

      Phys. Chem. Chem. Phys. (in press)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Laser spectroscopic study on (dibenzo-24-crown-8-ether)-water and -methanol comblexes in supersonic jets2010

    • Author(s)
      S.Kokubu, et al.
    • Journal Title

      Phys. Chem. Chem. Phys. (in press)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Water-mediated conformer optimization in benzo-18-crown-6-ether/water system2009

    • Author(s)
      R.Kusaka, et al.
    • Journal Title

      Phys. Chem. Chem. Phys. 11

      Pages: 9132-9140

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Study on the structure and vibrational dynamics of functional molecules and molecular clusters by double resonance vibrational spectroscopy2009

    • Author(s)
      T, Ebata
    • Journal Title

      Bull. Chem. Soc. Jpn. 82

      Pages: 127-151

    • NAID

      10025115329

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relaxation dynamics of NH stretching vibrations of 2-aminopyridine and its dimer in a supersonic beam2008

    • Author(s)
      Y. Yamada, et.al.
    • Journal Title

      Proc. Nat. Acad. Sci. 105

      Pages: 12690-12695

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An IR Study of (CO_2)_n^+(n=3-8) Cluster Ions in the 1000-3800cm^<-1> Region2008

    • Author(s)
      Y. Inokuchi, et.al.
    • Journal Title

      J. Chem. Phys. 129

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Structure of Hydrated Clusters of Dibenzo-18-Crown-6-Ether in a Supersonic Jet-Encapsulation of Water Molecules in the Crown Cavity2008

    • Author(s)
      R. Kusaka, et.al.
    • Journal Title

      Phys. Chem. Chem. Phys. 10

      Pages: 6238-6244

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Laser spectroscopic study on encapsulation structure of functional molecules in supersonic jets2010

    • Author(s)
      江幡孝之
    • Organizer
      239^<th> ACS National meeting & Exposition
    • Place of Presentation
      San Francisco(米国)
    • Year and Date
      2010-03-21
    • Related Report
      2009 Annual Research Report
  • [Presentation] Laser spectroscopic study on encapsulation structure of functional molecules in supersonic jets2010

    • Author(s)
      江幡孝之
    • Organizer
      Okazaki Conference
    • Place of Presentation
      岡崎
    • Year and Date
      2010-02-23
    • Related Report
      2009 Annual Research Report
  • [Presentation] Water-mediated conformer optimization in benzo-18-crown-6-ether/water system2009

    • Author(s)
      日下良二
    • Organizer
      The 6-th Nano Bio Info Chemistry Symposium
    • Place of Presentation
      広島大学
    • Year and Date
      2009-12-12
    • Related Report
      2009 Annual Research Report
  • [Presentation] Structure of calix[4]arene-H_2O cluster -World's smallest cup of water-2009

    • Author(s)
      本玉直哉
    • Organizer
      The 6-th Nano Bio Info Chemistry Symposium
    • Place of Presentation
      広島大学
    • Year and Date
      2009-12-12
    • Related Report
      2009 Annual Research Report
  • [Presentation] 3原子分子クラスターイオン内における分子間共有結合の形成とその電子・気化構造の研究2009

    • Author(s)
      井口佳哉
    • 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
      2009 Annual Research Report
  • [Presentation] カリックス[4]アレン(C4A)-水分子クラスターの構造-水分子はC4Aに内包するか外接するか-2009

    • Author(s)
      江幡孝之
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] ベンゾ-18-クラウン-6-エーテルの水分子包接におけるコンフォマー選択性2009

    • Author(s)
      日下良二
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] カリックス[4]アレン-Arクラスターの包接構造2009

    • Author(s)
      本玉直哉
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] Dibenzo-24-crown-8-etherのコンフォメーションおよびゲスト分子包接クラスターの構造に関する研究2009

    • Author(s)
      國分聡
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] レーザー蒸発/真空紫外イオン化を用いた不揮発性分子の質量分析法の開発2009

    • Author(s)
      吉川竜一
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2009-09-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] Elucidation of host-guest interaction of calixarene in supersonic jets2009

    • Author(s)
      江幡孝之
    • Organizer
      4-th Russian-Japanese Seminar "Molecular and Biophysical Magnetoscience"
    • Place of Presentation
      Orenburg state university(ロシア)
    • Year and Date
      2009-09-18
    • Related Report
      2009 Annual Research Report
  • [Presentation] Laser spectroscopic studies on functional molecules2009

    • Author(s)
      江幡孝之
    • Organizer
      2009 Gordon research conference on electronic spectroscopy and dynamics
    • Place of Presentation
      Colby College(米国)
    • Year and Date
      2009-07-20
    • Related Report
      2009 Annual Research Report
  • [Presentation] Elucidation of encapsulation structure of functional molecules in supersonic jets.2009

    • Author(s)
      江幡孝之
    • Organizer
      Third symposium "Molecular Science for Supra Functional Systems"
    • Place of Presentation
      東京工業大学
    • Year and Date
      2009-06-03
    • Related Report
      2009 Annual Research Report
  • [Presentation] Laser spectroscopic study on the encapsulation structure of calixarene in supersonic beam2008

    • Author(s)
      江幡孝之
    • Organizer
      Third Japanese-Russian Seminar-Molecular and Magnetoscience
    • Place of Presentation
      広島
    • Year and Date
      2008-12-14
    • Related Report
      2008 Annual Research Report
  • [Presentation] Encapsulation of water molecules by dibenzo-18-crown-6-ether in a supersonic jet2008

    • Author(s)
      日下良二
    • Organizer
      Third Japanese-Russian Seminar-Molecular and Magnetoscience
    • Place of Presentation
      広島
    • Year and Date
      2008-12-13
    • Related Report
      2008 Annual Research Report
  • [Presentation] 包接化合物の超音速分子線レーザー分光2008

    • Author(s)
      江幡孝之
    • Organizer
      平成20年度日本分光学会年次講演会特別シンポジウム
    • Place of Presentation
      仙台
    • Year and Date
      2008-11-19
    • Related Report
      2008 Annual Research Report
  • [Presentation] 共鳴多光子イオン化によるカリックスアレン包接クラスターの包接エネルギーの決定2008

    • Author(s)
      本玉直哉
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] 超音速ジェットレーザー分光を用いたクラウンエーテルの溶媒分子包接構造の解明2008

    • Author(s)
      日下良二
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] 赤外光解離分光法によるCO_2およびCS_2クラスターイオンの構造の解明2008

    • Author(s)
      井口佳哉
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] Study on encapsulation structure of functional molecules in supersonic jets2008

    • Author(s)
      江幡孝之
    • Organizer
      Gordon research conference on molecular and ionicclusters
    • Place of Presentation
      オーソア(フランス)
    • Year and Date
      2008-09-09
    • Related Report
      2008 Annual Research Report
  • [Presentation] Structure of cluster ions of triatomic molecules studied by infrared photodissociation spectroscopy2008

    • Author(s)
      井口佳哉
    • Organizer
      Gordon research conference on molecular and ionicclusters
    • Place of Presentation
      オーソア(フランス)
    • Year and Date
      2008-09-09
    • Related Report
      2008 Annual Research Report
  • [Presentation] Electronic spectra of calix [4] arene and its van der Waals clusters in supersonic jets2008

    • Author(s)
      江幡孝之
    • Organizer
      63^<rd> OSU international symposium on molecular spectroscopy
    • Place of Presentation
      オハイオ州立大学(米国)
    • Year and Date
      2008-06-19
    • Related Report
      2008 Annual Research Report
  • [Presentation] Encapsulation of water molecules by dibenzo-18-crown-6-ether in a supersonic jet2008

    • Author(s)
      日下良二
    • Organizer
      63^<rd> OSU international symposium on molecular spectroscopy
    • Place of Presentation
      オハイオ州立大学(米国)
    • Year and Date
      2008-06-19
    • Related Report
      2008 Annual Research Report

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Published: 2008-04-01   Modified: 2018-03-28  

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