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Study of the Correspondence in Electronic Structure between the Molecules Adsorbed on Surface and Their Model clusters

Research Project

Project/Area Number 13640498
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

MISAIZU Fuminori  Tohoku University, Graduate School of Science, Associate Professor, 大学院・理学研究科, 助教授 (20219611)

Project Period (FY) 2001 – 2002
Project Status Completed (Fiscal Year 2002)
Budget Amount *help
¥4,000,000 (Direct Cost: ¥4,000,000)
Fiscal Year 2002: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2001: ¥3,200,000 (Direct Cost: ¥3,200,000)
Keywordscluster / anionic polymerization / electron transfer / alkali metal / quantum chemical calculation / photoionization / mass spectroscopy / electronic structure / アニオン重 / 光解離 / 準安定解離 / 光電子分光 / 単分子解離 / アクリロニトリル / ビニル分子
Research Abstract

In this project, intracluster electron transfer from an alkali atom to constituent molecules and the following chemical reactions have been investigated by photoionization mass spectroscopy, negativeion photoelectron spectroscopy, photodissociation of cluster ions, and also by quantum chemical calculations. In the photoionization study, size-dependent stability of clusters is examined for the systems consisting of an alkali atom M (M=Li, Na, and K) and acrylonitrile (AN; CH2=CHCN) molecules These clusters are considered as microscopic models of initial systems for anionic polymerization reaction in the bulk solution. In the photoionization mass spectra of M(AN)_n^+, strong ion signals were observed commonly at n=3. This magic number can be explained by the electron transfer from the metal atom to vinyl molecules followed by intracluster anionic oligomerization to produce stable species with substituted cyclohexane ring structures. These clusters with n=3 were also found to be extraordi … More nary stable from the photodissociation experiments prior to photoionization. Quantum chemical calculation for Na(AN) based on density functional theory also supports the intracluster electron transfer from the metal atom to molecules.
Along with the neutral systems noted above, intracluster reactions in the negative ions of the NaAN clusters have also been examined by mass-selected photoelectron spectroscopy. In this experiment, we obtained photoelectron spectra of cluster negative ions, which were produced by laser vaporization and mass selected in a TOF mass spectrometer, by using a magnetic-bottle TOF electron energy analyzer. The obtained photoelectron spectrum of Na(AN)_3- were found to have the similar band structure with that of (AN)_3- and also with that of the 1,3,5-cyclohexanetricarbonitrile molecular negative ion obtained by Kondow and his coworkers. This observation indicates that the excess electron in Na(AN)_3- promotes the intracluster anionic oligomerization and that the cyclic oligomer is produced as discussed for the neutral M-vinyl molecules systems. Less

Report

(3 results)
  • 2002 Annual Research Report   Final Research Report Summary
  • 2001 Annual Research Report
  • Research Products

    (27 results)

All Other

All Publications (27 results)

  • [Publications] H.Tsunoyama et al.: "Intracluster Anionic Oligomerization of Acrylic Ester Molecules Initiated by Electron Transfer from an Alkali Metal Atom"Journal of American Chemcal Society. 123巻. 683-690 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] F.Misaizu et al.: "Size-Dependent Intracluster Reactions in Metal-Vinyl Molecule Clusters : Anionic Oligomerization Initiated by Electron Transfer"Transactions of the Materials Research Society of Japan. 26巻. 1135-1138 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] K.Ohshimo et al.: "Intracluster Electron Transfer from a Metal Atom/Cluster Followed by Anionic Oligomerization of Vinyl Molecules"European Physical Journal D. 16巻. 107-110 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] H.Tsunoyama et al.: "Intracluster Electron Transfer and Reactions in Alkali Metal-Methacrylate Clusters"The Journal of Physical Chemistry A. 105巻. 9649-9658 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] K.Ohshimo et al.: "Photoionization Mass Spectroscopy of Clusters of Alkali Metal Atoms with Methyl Vinyl Ketone and Acrolein"International Journal of Mass Spectrometry. 216巻. 29-40 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] 大下慶次郎 他: "電子移動により誘起される金属-アクリロニトリルクラスターの重合反応"超微粒子とクラスター懇談会第5回研究会論文集. 45-48 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] Ohshimo et al.: "Intracluster Multiple Trimeric Cyclization of Acrylonitrile Clusters Initiated by Electron Transfer from a Potassium Atom"The Journal of Chemical Physics. 117. 5209-5220 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] Furuya et al.: "Photodissociation of Mg(CH_2=CHCN)n^+ : Excited Electronic States of n=1 and 2 and Intracluster Electron Transfer for n=3 and 4"The Journal of Chemical Physics. 118. 5456-5464 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] Ohshimo et al.: "Negative-Ion Photoelectron Spectroscopy of Acrylonitrile Clusters Containing a Sodium Atom"European Physical Journal D. (印刷中). (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] H.Tsunoyama, K,Ohshimo, F,Misaizu, and K.Ohno: "Intracluster Anionic Oligomerization of Acrylic Ester Molecules Initiated by Electron Transfer from an Alkali Metal Atom"J. Am. Gem. Soc.. 123. 683-690 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] F.Misaizu, K.Ohshimo, H.Tsunoyama, A.Furuya, and K.Ohno: "Size-Dependent Intracluster Reactions in Metal-Vinyl Molecule Clusters: Anionic Oligomerization Initiated by Electron Transfer"Trans. Mater. Res. Soc. Jpn.. 26. 1135-1138 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] K.Ohshimo, H.Tsunoyama, F.Misaizu, and K.Ohno: "Intracluster Electron Transfer from a Metal Atom/Cluster Followed by Anionic Oligomerizatnon of Vinyl Molecules"European Phys. J. D. 16. 107-110 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] H.Tsunoyama, K.Ohshimo, F.Misaizu, and K.Ohno: "Intracluster Electron Transfer and Reactions in Alkali Metal-Methacrylate Clusters"J. Phys. Chem. A. 105. 9649-9658 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] K.Ohshimo, A.Furuya, H.Tsunoyama, F.Misaizu, and K.Ohno: "Photoionization Mass Spectroscopy of Clusters of Alkali Metal Atoms with Methyl Vinyl Ketone and Acrolein: Intracluster Oligomerization Initiated by Electron Transfer from an Alkali Metal Atom"Int. J. Mass Spectrom. 216. 29-40 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] K.Ohshimo, F.Misaizu, and K.Ohno: "Intracluster Mutiple Trimeric Cyclization of Acrylonitrile Clusters Initiated by Electron Transfer from a Potassium Atom: Size-Dependent Pathways of Metastable Dissociation in K^+(CH_2=CHCN)_n Photoions"J. Chem. Phys.. 117. 5209-5220 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] A.Furuya, K.Ohshimo, H.Tsunoyama, F.Misaizu, and K.Ohno: "Photodissociation of Mg(CH_2=CHCN)_n^+: Excited Electronic States of n=1 and 2 and Intracluster Electron Transfer for n=3 and 4"J. Chem. Phys.. 118. 5456-5464 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] K.Ohshimo, F.Misaizu, and K.Ohno: "Negative-Ion Photoelectron Spectroscopy of Acrylonitrile Clusters Containing a Sodium Atom"European Phys. J. D. in press.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] Ohshimo, Furuya, Tsunoyama, Misaizu, 0hno: "Photoionization Mass Spectroscopy of Clusters of Alkali Metal Atoms with Methyl Vinyl Ketone and Acrolein"International Journal of Mass Spectrometry. 216. 29-40 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Ohshimo, Misaizu, Ohno: "Intracluster Multiple Trimeric Cyclization of Acrylonitrile Clusters Initiated by Electron Transfer from A Potassium Atom"The Journal of Chemical Physics. 117. 5209-5220 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Ohshimo, Misaizu, Ohno: "Negative-Ion Photoelectron Spectroscopy of Acrylonitrile Clusters Containing A Sodium Atom"European Physical Journal D. (印刷中).

    • Related Report
      2002 Annual Research Report
  • [Publications] Furuya, Ohshimo, Tsunoyama, Misaizu, Ohno, Watanabe: "Photodissociation of Mg (CH_2=CHCN)_n^+ : Excited Electronic States of n=1 and 2 and Intracluster Electron Transfer for n=3 and 4"The Journal of Chemical Physics. (印刷中).

    • Related Report
      2002 Annual Research Report
  • [Publications] H.Tsunoyama et al.: "Intracluster Anionic Oligomerization of Acrylic Ester Molecules Initiated by Electron Transfer from an Alkali Metal Atom"Journal of American Chemcal Society. 123巻4号. 683-690 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] F.Misaizu et al.: "Size-Dependent Intracluster Reactions in Metal-Vinyl Molecule Clusters : Anionic Oligomerization Initiated by Electron Transfer"Transactions of the Materials Research Society of Japan. 26巻4号. 1135-1138 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] K.Ohshimo et al.: "Intracluster Electron Transfer from a Metal Atom/Cluster Followed bey Anionic Oligomerization of Vinyl molecules"European Physical Journal D. 16巻1-3号. 107-110 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] H.Tsunoyama et al.: "Intracluster Electron Transfer and Reactions in Alkali Metal-Methacrylate Clusters"The Journal of Physical Chemistry A. 105巻42号. 9649-9658 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] K.Ohshimo et al.: "Photoionization Mass Spectroscopy of Clusters of Alkali Metal Atoms with Methyl Vinyl Ketone and Acrolein"International Journal of Mass Spectrometry. (印刷中). (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] 大下慶次郎 他: "電子移動により誘起される金属-アクリロニトリルクラスターの重合反応"超微粒子とクラスター懇談会第5回研究会論文集. 45-48 (2001)

    • Related Report
      2001 Annual Research Report

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Published: 2001-04-01   Modified: 2016-04-21  

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