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2001 Fiscal Year Final Research Report Summary

Spectroscopy and Dynamics of Reactive Cluster Studied by Two-Color Laser Vibrational Spectrosopy and Quantum Chemical Calculation

Research Project

Project/Area Number 11304043
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionOkazaki National Research Institutes Institute for Molecular Science

Principal Investigator

FUJII Masaaki  Okazaki National Research Institutes Institute for Professor, 分子科学研究所, 教授 (60181319)

Co-Investigator(Kenkyū-buntansha) SAKAI Makoto  Okazaki National Research Institutes Institute for Research Associate, 分子科学研究所, 助手 (60298172)
HASHIMOTO Kenro  Okazaki National Research Institutes Institute for Professor, 大学院・理学研究科, 助教授 (40202254)
Project Period (FY) 1999 – 2001
KeywordsCluster / Infrared Spectrum / Solvation / Multiphoton Ionization / IR Dip Spectroscopy / Proton Transfer / Phenol / Naphthol
Research Abstract

Reflectron mass-spectrometer with reactive cluster source was designed and built succes sfully. Originally developed IR-UV multi-resonance spectroscopies were combined with this cluster source, and vibrational spectra of reactive clusters have been measured not only in the ground- state but also in the excited electronic states. The most clear example is the study on photochemistry in phenol-ammonia clusters. The vibrational transitions of the photochemical reaction products in phenol-(NH_3)_3 have been measured by UV-IR-UV three-color dip spectroscopy. Two sharp bands at -3200 cm^-1 and a broad band in the region 2700-31 00 cm^-1 are observed. The spectrum is clearly different from that of the cluster in S_(1) and also largely different from the IR spectrum of NH_4+(NH_3)_2. This suggests that hydrogen transfer occurs in electronically excited phenol-(NH_3)_3. Evidence of hydrogen trans fer hasalso been found in phenol-(NH_3)_4 based on the mass spectrum and the IR dip spectrum of the cluster. In addition, IR spectra of solvated cluster of naphthol, carbazole, 7-azaindo!e and its dimer have been measured by IR-UV double resonance spectroscopies and their slruc lure have been determind^ based on the comparison to ab initio MO calculations. The re lation between the structure and photochemical properties have been discussed.

  • Research Products

    (38 results)

All Other

All Publications (38 results)

  • [Publications] Ryozo Takasu, Kenro Hashimoto, Rei Okuda Kiyokazu Fuke: "Solvation of Sodium Dimer in Ammonia Clusters ; Photoelectron Spccwroscopy and ab initio Study of Na_2(NH_3)_n"J. Phys. Chem. A. 103. 349-354 (1999)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Masaski Mitsui, Yasuhiro Ohshima, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki fujii: "Structural Characterization of the Acridine-(H_2O)_n (n=1-3) Clusters by Fluorescence Dip Infrared Spectroscopy"Chem. Phys. Lett.. 317. 211-219 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] R.Takasu, H.Ito, K.Nishikawa, K.Hashimoto, R.Okuda, K.Fuke: "Solvation Process of Na_m in Small Ammonia Clusters : Photoelectron Spectroscopy of Na_m (NH_3)_n (m【less than or aqual】3)"J. Electron Spectrosc. Rela. Phenom.. 106. 127-139 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Kazunari Suzuki, Yuji Emura, Shun-ichi, Ishiuchi Masaaki Fujii: "Internal Methyl Group Rotation in ο-Cresol Studied by Pulsed Field Ionization-ZEKE Photoelectron Spectroscopy"J. Electron Spectrosc. Rela. Phenom.. 108. 13-20 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Kazunari Suzuki, Shun-ichi Ishiuchi Masaaki Fujii: "Pulsed Field Ionization-ZEKE Spectroscopy of Cresoles and their Aqueous Complex : Internal Rotation of Methyl Group and Intermolecular Vibrations"Faraday Discuss.. 115. 229-243

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Shun-ichi Ishiuchi, Morihisa Saeki, Makoto Sakai, Masaaki Fujii: "IR Dip Spectra of Photochemical Reaction Products in a Phenol/Ammonia Cluster : Examination of Intracluster Hydrogen Transfer"Chem. Phys. Lett.. 322. 27-32 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Ken Takazawa, Masaaki Fujii: "Buttertly Vibration of the Tetrafluorobenzene Cation Studied by Pulsed Field Jonization-ZEKE Photoelectron Spectroscopy"J. Electron Spectrosc. Rela. Phenom.. 112. 241-245 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Hashimoto, T.Kamimoto, K.Daioku: "Theoretical Study of |Na(H_2O)_n|^-(n=1-4) Clusters : Geometries, Vertical Detachment Energies, and IR Spectra"J. Phys. Chem. A. 104. 3299-3307 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Masaaki Mitsui, Yasuhiro Ohshima, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fuii: "Structure and Dynamics of 9(10H)-Acridone and its Hydrated Clusters. II. Structural Characterization of Hydrogen-bonding Networks"J. Phys. Chem. A. 104. 8649-8659 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] K.Hashimoto, T.Kamimoto, N.Miura, R.Okuda, K.Daigoku: "Theoretical Study of |Na(NH_3)_n|^-(n=1-4)"J. Chem. Phys.. 113. 9540-9548 (2000)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Kenji Sakota, Norifumi Yamamoto, Kazuhiko Ohashi, Hiroshi Sekiya, Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii: "Electronic and infrared Spectra of Jet-cooled 4-Aminiobenzonitrile-H_2O : Change of NH_2 from Proton Acceptor to Proton Donor by CN Substitution"Chem. Phys. Lett.. 341. 70-76 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] R.Takasu, K.Nishikawa, N.Miura, A.Sabu, K.Hashimoto, C.P.Schulz, I.V.Hertel, K.Fuke: "Photodissociation Spectroscopy of Li-H_2O and Li-D_2O Complexes"J. Phys. Chem. A. 105. 6602-6608 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Makoto Sakai, Kota Daigoku, Shun-ichi Ishiuchi, Morihisa Saeki, Kenro Hashimoto, Masaaki Fujii: "Structures of Carbazole-(H_2O)_n (n=1-3) Clusters Studied by IR Dip Spectroscopy and a Quantum Chemical Calculation"J. Phys. Chem. A. 105. 8651-8657 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Hiroshi Yokoyama, Hidekazu Watanabe, Takuichiro Omi, Shun-ichi Ishiuchi, Masaaki Fujii: "Structure of Hydrogen-bonded Clusters of 7-Azaindole Studied by IR Dip Spectroscopy and ab initio Molecular Orbital Calculation"J. Phys. Chem. A. 105. 9366-9374 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Kota Daigoku, Nobuaki Miura, Kenro Hashimoto: "Electronic states of NH_4(NH_3)_n (n=0-4) cluster radicals"Chem. Phys. Lett.. 346. 81-88 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Shun-ichi Ishiuchi, Makoto Sakai, Kota daigoku, Tadashi Ueda, Takaya Yamanaka, Kenro Hashimoto, Masaaki Fujii: "Picosecond Time-Resolved Infrared Spectra of Photo-excited Phenol-(NH_3)_3 Cluster"Chem. Phys. Lett.. 347. 87-92 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii: "Structure of 1-Naphthol/Alcohol Clusters Studied by IR Dip Spectroscopy and ab initio Molecular Orbital Calculations"J.Phys. Chem. A. 105. 10045-10053 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Kiyokazu Fuke, Kenro Hashimoto, Suehiro Iwata: "Structures, Spectroscopies and Reactions of Atomic Ions with Water Clusters"Advances in Chemical Physics Vol.110. 433-523 (1999)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Kiyokazu Fuke, Kenro Hashimoto, Suehiro Iwata: "Structures, Spectroscopies and Reactions of Atomic Ions with Water Clusters"Advances in Metal and Semiconductor Clusters, Vol.5. 1-37 (2001)

    • Description
      「研究成果報告書概要(和文)」より
  • [Publications] Ryozo Takasu, Kenro Hashimoto, Rei Okuda an Kiyokazu Fuke: "'Solvation of Sodium Dimer in Ammonia Clusters ; Photoelectro Spectroscopy and ab initio Study of Na_2 (NH_3)_n"J. Phys. Chem. A. 103. 349-354 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Masaaki Mitsui, Yasuhiro Ohshima, Shun-ichi Ishiuchi Makoto Sakai and Masaaki Fujii: "Structural Characterization of the Acridine-(H_2O)_n (n = 1-3)Clusters by Fluorescence Dip Infrared Spectroscopy.,"Chem. Phys. Lett. 317. 211-219 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] R. Takasu, H. Ito, K. Nishikawa, K. Hashimoto, R Okuda and K. Fuke: "Solvation Process of Na_m in Small Ammonia Clusters Photoelectron Spectroscopy of Na_m(NH_3). (m≦3),"J. Electron Spectrosc. Rela. Phenom.. 106. 127-139 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Kazunari Suzuki, Yuji Emura, Shun-ichi Ishiuchi and Masaaki Fujii: "Internal Methyl Group Rotation in o-Cresol Studied by Pulsed Field lonization - ZEKE Photoelectron Spectrqscopy"J. Electron Spectrosc. Rela. Phenom.. 108. 13-20 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Kazunari Suzuki, Shun-ichi Ishiuchi and Masaaki Fuji: "Pulsed Field lonization - ZEKE Spectroscopy of Cresoles and their Aqueous Complex : Internal Rotation of Methyl Group and Intermolecular Vibrations"Faraday Discuss.. 115. 229-243 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Shun-ichi Ishiuchi, Morihisa Saeki, Makoto Sakai Masaaki Fujii: "IR Dip Spectra of Photochemical Reaction Products in a Phenol/Ammonia Cluster : Examination of Intracluster Hydrogen Transfer"Chem. Phys. Lett. 322. 27-32 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Ken Takazawa and Masaaki Fujii: "Butterfly Vibration of the Tetrafluorobenzene Cation Studied by Pulsed Field lonization-ZEKE Photoelectron Spectroscopy"J. Electron Spectrosc. Rela. Phenom. 112. 241-245 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K. Hashimoto, T. Kamimoto and K. Daigoku: "Theoretical Study of [Na(H_2O)_m] (n =1-4) Clusters : Geometries, Vertical Detachment Energies and IR spectra"J. Phys. Chem. A. 104. 3299-330 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Masaaki Mitsui, Yasuhiro Ohshima, Shun-ichi Ishiuchi, Makoto Sakai and Masaaki Fujii: "Structure and Dynamics of 9(10H)-Acridone and its Hydrated Clusters. II. Structural Characterization of Hydrogen-bonding Networks"J. Phys. Chem. A. 104. 8649-8659 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] K. Hashimoto, T. Kamimoto, N. Miura, R. Okuda and K. Daigoku: "Theoretical Study of[Na(NH_3)_n](n=1-4)"J. Chem. Phys.. 113. 9540-9548 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Kenji Sakota, Norifumi Yamamoto, Kazuhiko Ohashi, Hiroshi Sekiya, Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai and Masaaki Fuji: "Electronic and Infrared Spectra of Jet-cooled 4-Aminiobenzonitrile-H_2O : Change of NH_2 from Proton Acceptor to Proton Donor by CN Substitution"Chem. Phys. Lett.. 341. 70-76 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] R. Takasu, K. Nishikawa, N. Miura, A. Sabu, K. Hashimoto, C. P. Schulz, I. V. Hertel and K. Fuke: "Photodissociation Spectroscopy of Li-H_2O and Li-D_2O Complexes"J. Phys. Chem. A. 105. 6602-6608 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Makoto Sakai, Kota Daigoku, Shun-ichi Ishiuchi, Morihisa Saeki, Kenro Hashimoto and Masaaki Fujii: "Structures of Carbazole-(H_2O)_n(n = 1-3) Clusters Studied by IR Dip Spectroscopy and a Quantum Chemical Calculation"J. Phys. Chem. A,. 105. 8651-8657 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Hiroshi Yokoyama, Hidekazu Watanabe, Takuichiro Omi, Shun-ichi Ishiuchi and Masaaki Fujii: "Structure of Hydrogen-bonded Clusters of 7-Azaindole Studied by IR Dip Spectroscopy and ab initio Molecular Orbital Calculation"J. Phys. Chem. A. 105. 9366-9374 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Kota Daigoku, Nobuaki Miura and Kenro Hashimoto: "Electronic states of NH_4(NH_3)_n (n=0-4) cluster radicals"Chem. Phys. Lett.. 346. 81-88 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Shun-ichi Ishiuchi, Makoto Sakai, Kota Daigoku, Tadashi Ueda, Takaya Yamanaka, Kenro Hashimoto and Masaaki Fujii: "Picosecond Time-Resolved Infrared Spectra of Photo-excited Phenil-(NH_3)_3Cluster"Chem. Phys. Lett. 347. 87-92 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai and Masaaki Fujii: "Structure of 1-Naphthol/Alcohol Clusters Studied by IR Dip Spectroscopy and ab initio Molecular Orbital Calculations"J. Phys. Chem. A. 105. 10045-10053 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Kiyokazu Fuke, Kenro Hashimoto and Suehiro Iwata: "Structures, Spectroscopies and Reactions of Atomic Ions with Water Clusters"Advances7 Lin Chemical Physics Vol. 110, Chapter 7, pp. 433-523, John Wiley and Sons, 1999, New York.

    • Description
      「研究成果報告書概要(欧文)」より
  • [Publications] Kiyokazu Fuke, Kenro Hashimoto and Ryozo Takasu: "Solvation of Sodium Atom and Aggregates in Ammonia Clusters"Advances in Met al an d Semiconductor Clusters. Vol. 5, Elsevier. 1-37 (2001)

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 2003-09-17  

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