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Observation of OH stretching vibrations of hydrogen-bonded molecular clusters

Research Project

Project/Area Number 07454144
Research Category

Grant-in-Aid for Scientific Research (B)

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

Principal Investigator

EBATA Takayuki  Graduate school of Science, Tohoku University Associated Professor, 大学院・理学研究科, 助教授 (70142924)

Co-Investigator(Kenkyū-buntansha) MIKAMI Naohiko  Graduate school of Science, Tohoku University Professor, 大学院・理学研究科, 教授 (70004447)
Project Period (FY) 1995 – 1996
Project Status Completed (Fiscal Year 1996)
Budget Amount *help
¥7,800,000 (Direct Cost: ¥7,800,000)
Fiscal Year 1996: ¥1,500,000 (Direct Cost: ¥1,500,000)
Fiscal Year 1995: ¥6,300,000 (Direct Cost: ¥6,300,000)
Keywordshydrogen-bond / clusters / OH stretching vibration / supersonic jet / double resonance / phenol / vibrational relaxation / クラスター / 赤外スペクトル / ラマンスペクトル
Research Abstract

The OH stretching vibrations of size-selected hydrogen-bonded clusters of aryl alcohols were observed in supersonic jets. Two spectroscopic methods were applied ; IR-UV double resonance and stimulated Raman-UV double resonance spectroscopies. The investigated hydrogen-bonded systems are phenol-(H_2O)_n, naphthol-(H_2O)_n, tropolone-(H_2O)_n, and also the clusters with other base molecules.
In phenol-(H_2O)_n clusters (n=1-5), not only ^vOH of the phenol site but also of the water sites were observed. The cluster structures were investigated by comparing the observed spectra with the ones obtained by ab initio molecular orbital calulation. It was found that ring form hydrogen-bonded structure is most stable for the clusters with 2<less than or equal>n<less than or equal>4, and for larger size clusters, isomers different from the ringstructure seems to becomestable. The OH stretching spectra of naphthol-(H_2O)_n clusters are essentially the same with those of phenol-(H_2O)_n and a similar cluster structures are suggested. It was also found that the relaxation rate of the hydrogen bonded ^vOH are much larger than that of ^vOH free from the hydrogen bond
The decrease of ^vOH frequency by the hydrogen-bond formation versus the strength of basicity was investigated nad it was found the increase shows good correlation with the proton affinity of the base molecules.

Report

(3 results)
  • 1996 Annual Research Report   Final Research Report Summary
  • 1995 Annual Research Report
  • Research Products

    (48 results)

All Other

All Publications (48 results)

  • [Publications] T.Ebata: "Evidence for the cyclic from of phenol trimer:Vibrational spectroscopy of the OH stretching vibrations of jet-cooled phenol dimer and trimer" J.Phys.Chem.99・16. 5761-5764 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] N.Mikami: "Spectroscopic study of intracluster proton transfer in small size hydrogen-bonding clusters of phenol."" Bull.Chem.Soc.Jpn.,. 68・3. 683-695 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Chounan: "Most stable conformer of 2-phenylpropanal elucidated by supersonic jet spectroscopy" J.Am.Chem.Soc.117・11. 3167-3170 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Kojima: "Laser-induced fluorescence of jet-cooled chlorotoluene molecules" J.Photochem.Photobiol.A:Chem.,. 92. 1-5 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Ebata: "Degenerate four-wave mixing and two-color laser induced grating spectra of S_1-S_0 electronic transitions of benzene and monosubstituted benzenes in the gas phase." J.Mol.Structure. 325/353. 533-540 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Okazaki: "Degenerate four-wave mixing spectroscopy of jet-cooled SO_2 via the C-X transition" Chem.Phys.Lett.241. 275-280 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Ebate: "OH Stretching vibrations of phenol-(H_2O)_1 and phenol-(H_2O)_3 in the S_1 state" J.Phys.Chem.100・2. 546-550 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Sawamura: "Characterization of the hydrogen bonded cluster ions,[phenol-(H_2O)_n](n=1-4),(phenol)_2,and(phenol-methanol)^4 as studied by trapped ion infrared multiphoton dissociation spectroscopy of their OH stretching vibrations."" J.Phys.Chem.100・20. 8131-8138 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Watanabe: "Size-selected vibrational spectra of phenol-(H_2O)_n(n=1-4)clusters observed by IR-UV double resonance and stimulated Raman-UV double resonance spectroscopies" J.Chem.Phys.105・2. 408-419 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Fujii: "Infrared spectroscopy of precursor clusters for nucleophilic substitution reactions;flurobenzene-(CH_3OH)_n(n=1and2)" Chem.Phys.Lett.256. 1-7 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Mitsuzuka: "Infrared spectroscopy of OH stretching vibrations of hydrogen-bonded tropolone-(H_2O)_n(n=1-3)and tropolone-(CH_3OH)_n(n=1and2)clusters" J.Chem.Phys.105・7. 2618-2627 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Ishikawa: "Hole-burning and stimulated Raman-uv double resonance spectroscopies of jet-cooled toluene dimer" J.Phys.Chem.100・25. 10531-10535 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Iwasaki: "Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets" J.Phys.Chem.100・40. 16053-16067 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Ebata: "Structures of size selected hydrogen-bonded phenol-(H_2O)_n clusters in S_0,S_1 and ion" Int.J.Mass Spectro.Ion Processes. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Yoshiyasu Chounan, Takayuki Ebata and Yoshinori Yamamoto: ""Most stable conformer of 2 phenylpropanal elucidated by supersonic jet spectroscopy"" J.Am.Chem.Soc.117. 3167-3170 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Kojima, T.Suzuki, T.Ichimura, A.Fujii, T.Ebata, and N.Mikami: ""Laser-induced fluorescence of jet-cooled chlorotoluene molecules"" J.Photochem.Photobiol.A : Chem.92. 1-5 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takayuki Ebata, Akihiro Okazaki, Yoshiya Inokuchi and Naohiko Mikami: ""Degenerate four-wave mixing and two-color laser induced grating spectra of S_1-S_0 electronic transitions of benzene and monosubstituted benzenes in the gas phase"" J.Mol.Structure. 352-353. 533-540 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Akihiro Okazaki, Takayuki Ebata and Naohiko Mikami: ""Degenerate four-wave mixing spectroscopy of jet-cooled So_2 via the C-X transition"" Chem.Phys.Lett.241. 275-280 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Masaaki Komatsu, Takayuki Ebata, Toshihiko Maeyama and Naohiko Mikami: ""Rotational structure and dissociation of the Rydberg states of CO investigated by ion-dip spectroscopy"" J.Chem.Phys.103. 2420-2435 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takayuki Ebata, Takumichi Sutani and Naohiko Mikami: ""Predissociation of the Rydberg states of CO investigated by the detection of the C(^3P_J) fragment"" Chem.Phys.Lett.240. 357-361 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takayuki Ebata, Takeshi Watanabe and Naohiko Mikami: ""Evidence for the cyclic form of phenol trimer : Vibrational spectroscopy of the OH stretching vibrations of jet-cooled phenol dimer and trimer"" J.Phys.Chem.99. 5761-5764 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takayuki Ebata, Norikazu Mizuochi, Takeshi Watanabe and Naohiko Mikami: ""OH Stretching vibrations of phenol-(H_2O)_1 and phenol-(H_2O)_3 in the S_1 state"" J.Phys.Chem.100. 546-550 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takahiro Sawamura, Asuka Fujii, Takayuki Ebata and Naohiko Mikami: ""Characterization of the hydrogen bonded cluster, ions, [phenol-(H_2O)n]^+(n=1-4), (phenol)_2^+、and(phenol-methanol)^+ as studied by trapped ion infrared multiphoton dissociation spectroscopy of their OH stretching vibrations"" J.Phys.Chem.100. 8131-8138 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takeshi Watanabe, Takayuki Ebata, Shigeki Tanabe and Naohiko Mikami: ""Size-selected vibrational spectra of phenol-(H_2O)_n](n=1-4) clusters observed by IR-UV double resonance and stimulated Raman-UV double resonance spectroscopies."" J.Chem.Phys.105. 408-419 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Asuka Fujii, Shigeki Okuyama, Atsushi Iwasaki, Toshihiko Maeyama, Takayuki Ebata and Naohiko Mikami: ""Infrared spectroscopy of precursor clusters for nucleophilic substitution reactions ; fluorobenzene-(CH_3OH)_n(n=1and 2)"" Chem.Phys.Lett.256. 1-7 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Akira Mistuzuka, Asuka Fujii, Takayuki Ebata and Naohiko Mikami: ""Infrared spectroscopy of OH stretching vibrations of hydrogen-bonded tropolone-(H_2O)_n(n=1-3)and tropolone-(CH_3OH)_n(n=1and2) clusters"" J.Chem.Phys.105. 2618-2627 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Seiichi Ishikawa, Takayuki Ebata, Haruki Ishikawa, Tamiko inoue and Naohiko Mikami: ""Hole-burning and stimulated Raman-uv double resonance spectroscopies of jet-cooled toluene dimer"" J.Phys.Chem.100. 10531-10535 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Atsushi Iwasaki, Asuka Fujii, Takeshi Watanabe, Takayuki Ebata and Naohiko Mikami: ""Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets"" J.Phys.Chem.100. 16053-16067 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Takayuki Ebata Asuka Fujii and Naohiko Mikami: ""Structures of size selected hydrogen-bonded phenol-(H_2O)_n clusters in S_0, S_1 and ion" Int.J.Mass Spectro.Ion Processes". (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T. Ebata: "Evidence for the cyclic form of phenol trimer : Vibrational spectroscopy of the OH stretching vibrations of jet-cooled phenol dimer and trimer" J. Phys. Chem.99・16. 5761-5764 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] N. Mikami: "Spectroscopic study of intracluster proton transfer in small size hydrogen-bonding clusters of phenol.″" Bull. Chem. Soc. Jpn.68・3. 683-695 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y. Chounan: "Most stable conformer of 2-phenylpropanal elucidated by supersonic jet spectroscopy" J. Am. Chem. Soc.117・11. 3167-3170 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] H. Kojima: "Laser-induced fluorescence of jet-cooled chlorotoluene molecules" J. Photochem. Photobiol. A : Chem.92. 1-5 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Ebata: "Degenerate four-wave mixing and two-color laser induced grating spectra of S_1-S_0 electronic transitions of benzene and monosubstituted benzenes in the gas phase." J. Mol. Structure. 352/353. 533-540 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Okazaki: "Degenerate four-wave mixing spectroscopy of jet-cooled SO_2 via the C-X transition" Chem. Phys. Lett.241. 275-280 (1995)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Ebata: "OH Stretching vibrations of phenol-(H_2O)_1 and phenol-(H_2O)_3 in the S_1 state" J. Phys. Chem.100・2. 546-550 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Sawamura: "Characterization of the hydrogen bonded cluster ions, [phenol-(H_2O)_n]^+ (n=1-4), (phenol)_2^+, and (phenol-methanol)^+ as studied by trapped ion infrared multiphoton dissociation spectroscopy of their OH stretching vibrations.″" J. Phys. Chem.100・20. 8131-8138 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Watanabe: "Size-selected vibrational spectra of phenol-(H_2O)_n (n=1-4) clusters observed by IR-UV double resonance and stimulated Raman-UV double resonance spectroscopies" J. Chem. Phys.105・2. 408-419 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Fujii: "Infrared spectroscopy of precursor clusters for nucleophilic substitution reactions ; fluorobenzene-(CH_3OH)_n (n=1 and 2)" Chem. Phys. Lett.256. 1-7 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Mitsuzuka: "Infrared spectroscopy of OH stretching vibrations of hydrogen-bonded tropolone-(H_2O)_n (n=1-3) and tropolone-(CH_3OH)_n (n=1 and 2) clusters" J. Chem. Phys.105・7. 2618-2627 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S. Ishikawa: "Hole-burning and stimulated Raman-uv double resonance spectroscopies of jet-cooled toluene dimer" J. Phys. Chem.100・25. 10531-10535 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] A. Iwasaki: "Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets" J. Phys. Chem.100・40. 16053-16067 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T. Ebata: "Structures of size selected hydrogen-bonded phenol-(H_2O)_n clusters in S_0,S_1 and ion" Int. J. Mass Spectro. Ion Processes. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] Takayuki Ebata: "Evidence for the cyclic form of phenol timer:Vibrational spectroscopy of the OH stretching vibrations of jet-cooled phenol dimer and trimer" Journal of Physical Chemistry. 99. 5761-5764 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Yukiyasu Chounan: "Most stable conformer of 2-phenyl propanal elucidated by supersonic jet spectroscopy" Journal of American Chemical Society. 117. 3167-3170 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Takayuki Ebata: "Degenerate four-wave mixing and two-color laser induced grating spectra of S_1-S_0 electronic transitions of benzene and monosubstituted benzenes in the gas phase" Journal of Molecular Structure. 352/353. 533-540 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Akihiro Okazaki: "Degenerate four-wave mixing spectroscopy of jet-cooled SO_2 via the C-X transition" Chemical Physics Letters. 241. 275-280 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Takayuki Ebata: "OH stretching vibrations of phenol-(H_2O)_1 and phenol-(H_2O)_3 in the S_1 state" Journal of Physical Chemistry. (in press). (1996)

    • Related Report
      1995 Annual Research Report

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Published: 1995-04-01   Modified: 2016-04-21  

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