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An infrared spectroscopic study on CH/π Ieractions in molecular clusters

Research Project

Project/Area Number 14540462
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionTohoku university

Principal Investigator

FUJII Asuka  Tohoku university, Graduate School of Science, Research Associate, 大学院・理学研究科, 助手 (50218963)

Project Period (FY) 2002 – 2003
Project Status Completed (Fiscal Year 2003)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,900,000)
Fiscal Year 2003: ¥1,100,000 (Direct Cost: ¥1,100,000)
Fiscal Year 2002: ¥2,800,000 (Direct Cost: ¥2,800,000)
KeywordsCH / π interaction / infrared spectroscopy / cluster / intermolecular interaction / hydrogen bond / dispersion force / acetylene / benzene / CH-π相互作用 / 赤外分光法 / 二重共鳴法
Research Abstract

CH stretching vibrations of jet-cooled benzene-acetylene and several aromatics-acetylene clusters were observed for the characterization of the intermolecular interaction, so-called activated CH/π interaction between the acidic CH group and π-electrons, under the well-defined condition. The infrared-ultraviolet double resonance spectroscopic techniques were used to measure Infrared spectra of the jet-cooled clusters. The antisymmetric CH stretching vibration of the acetylene moiety exhibits substantial low-frequency shifts upon the cluster formation with the aromatic molecules, indicating such cluster structures that acetylenic CH Is bound to the π-electrons of the aromatic ring. The magnitude of the low-frequency shifts Increased with increase of the π-electron density of the ring, as expected for an ordinary π-hydrogen bond. On the other hand, the polarizability of the proton accepting molecules showed a weakly negative correlation with the CN frequency shifts.

Report

(3 results)
  • 2003 Annual Research Report   Final Research Report Summary
  • 2002 Annual Research Report
  • Research Products

    (17 results)

All Other

All Publications (17 results)

  • [Publications] A.Fujii, T.Ebata, N.Mikami: "An infrared study of π-hydrogen bonds in microsolvated phenol"Journal of Physical Chemistry A. 106. 8554-8560 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, G.N.Patwari, T.Ebata, N.Mikami: "Vibrational spectroscopic evidence of unconventional hydrogen bonds"International Journal of Mass Spectrometry. 220. 289-312 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, T.Ebata, N.Mikami: "Direct observation of weak hydrogen bonds in microsolvated phenol"Journal of Physical Chemistry A. 106. 10124-10129 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] N.Miyazaki, A.Fujii, T.Ebata, N.Mikami: "Infrared spectroscopy of hydrated benzene cluster cations, [C_6H_6-(H_2O)_n]^+ (n=1-6)"Physical Chemistry Chemical Physics. 5. 1137-1148 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Honda, A.Fujii, E.Fujimaki, T.Ebata, N.Mikami: "NH stretching vibrations of jet-cooled aniline and its derivatives in the neutral and cationic ground states"Journal of Physical Chemistry A. 107. 3678-3686 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, S.Morita, M.Miyazaki, T.Ebata, N.Mikami: "A molecular cluster study on activated CH/π interactions"Journal of Physical Chemistry A. 108. 2652-2658 (2004)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, T.ebata, N.Mikami: "An infrared study of π-hydrogen bonds in microsolvated phenol"Journal of Physical Chemistry A. 106. 8554-8560 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, G.N.Patwari, T.Ebata, N.Mikami: "Vibrational spectroscopic evidence of unconventional hydrogen bonds"International Journal of Mass Spectrometry. 220. 289-312 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, T.Ebata, N.Mikami: "Direct observation of weak hydrogen bonds in microsolvated phenol"Journal of Physical Chemistry A. 106. 10124-10129 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Miyazaki, A.Fujii, T.Ebata, N.Mikami: "Infrared spectroscopy of hydrated benzene cations, [C6H6-(H20)n]+(n=1-6)"Physical Chemistry Chemical Physics. 5. 1137-1148 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Honda, A.Fujii, T.Ebata, N.Mikami: "NH stretching vibrations of jet-cooled aniline and its derivatives in the neutral and cationic states"Journal of Physical Chemistry A. 107. 3678-3686 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] A.Fujii, S.Morita, M.Miyazaki, T.Ebata, N.Mikami: "A molecular cluster study on activated CH/π interactions"Journal of Physical Chemistry A. 108. 2652-2658 (2004)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Miyazaki, A.Fujii, T.Ebata, N.Mikami: "Infrared spectroscopy of hydrated benzene cluster cations, [C6H6-(H20)n]+(n=1-6)"Physical Chemistry Chemical Physics. 5. 1137-1148 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] M.Honda, A.Fujii, E.Fujimaki, T.Ebata, N.Mikami: "NH stretching vibrations of jet-cooled aniline and its derivatives in the neutral and cationic ground states"Journal of Physical Chemistry A. 107. 3678-3686 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] A.Fujii, S.Monita, M.Miyazaki, T.Ebata, N.Mikami: "A molecular cluster study on activated CH/π interactions"Journal of Physical Chemistry A. (印刷中). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] A.Fujii, T.Ebata, N.Mikami: "An infrared study of π-hydrogen bonds in micro-solvated phenol"Journal of Physical Chemistry A. 106・37. 8554-8560 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] A.Fujii, T.Ebata, N.Mikami: "Direct observation of weak hydrogen bonds in microsolvated phenol"Journal of Physical Chemistry A. 106・43. 10124-10129 (2002)

    • Related Report
      2002 Annual Research Report

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Published: 2002-04-01   Modified: 2016-04-21  

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