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Wavefuntion in Momentum Space and Molecular Recognition

Research Project

Project/Area Number 13440205
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field 機能・物性・材料
Research InstitutionTohoku University

Principal Investigator

UDAGAWA Yasuo  Tohoku University,lnstitute of Multidisciplinary Research for Advanced Materials, Professor, 多元物質科学研究所, 教授 (00004458)

Co-Investigator(Kenkyū-buntansha) KUROKI Yasuhisa  Otsuka Pharmaceutical Co.Ltd, Researcher, 栄養研究所, 研究員
TAKAHASHI Masahiko  Tohoku University,lnstitute of Multidisciplinary Research for Advanced Materials, Associate Professor, 多元物質科学研究所, 助教授 (80241579)
Project Period (FY) 2001 – 2002
Project Status Completed (Fiscal Year 2002)
Budget Amount *help
¥12,100,000 (Direct Cost: ¥12,100,000)
Fiscal Year 2002: ¥4,400,000 (Direct Cost: ¥4,400,000)
Fiscal Year 2001: ¥7,700,000 (Direct Cost: ¥7,700,000)
Keywordselectron momentum spectroscopy / momentum space / wave functional form / glyoxal / biacetyl
Research Abstract

The present research project aims at determination of wavefunctional forms of molecules in the momentum space by the use of electron momentum spectroscopy(EMS). EMS makes use of inelastic electron scattering accompanied with ionization transition of molecules induced by electron collision. It is possible to determine wavefunctional form of individual orbitals, and through the Fourier transformation wavefunction of real (position) space can be obtained. Further aimed at is to understand the mechanism of molecular recognition in terms of the wavefunctional forms of orbitals such as H0M0.
The difficulties of this EMS lies in small scattering cross section, which results in low signal to noise ratio in spite of a long data-accumulation period, and hence it is very difficult to obtain quantitative data. In crder to overcome this difficulty we have constructed a new spectrometer by making use of two-dimensional detector. The major parts of this instrument were manufactured at the machine shop of the IMRAM, Tohoku University. The budget of the fiscal year 2001 was mainly appropriated for the materials to construct the spectrometer. As a result, we have succeeded in improving the detection efficiency significantly.
By using the newly built spectrometer, the following topics have been challenged in the fiscal year 2002.
1. Characterization of H0M0 and NHOMO of glyoxal and biacetyl through impact energy dependence of electron momentum distribution.
2. Higher excited states of CO.
3. Higher excited states of Hydrogen molecular ion
4. Momentum distribution of outer orbitals of N_2O.
At present, the chamber is being modified in order to be equipped with high-temperture nozzle, which makes it possible to extend the target to molecules with low molecules with low vapor pressure, such as glycine and adenine.

Report

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

    (10 results)

All Other

All Publications (10 results)

  • [Publications] M.Takahashi, M.Matuso, Y.Udagawa: "A high sensitivity electron momentum spectrometer with simultaneous detection in energy and momentum"Rev. Sci. Instrum.. 73. 2242-2247 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] M.Takahashi, T.Saito, J.hiraga, Y.Udagawa: "An Electron Momentum Spectroscopy Study on Molecules Having Two Equivalent Functional Groups"Many-Particle Spectroscopy of Atoms, Molecules, Clusters and Surface. 369-379 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] M.Talahashi, T.Saito, J.Hiraga, Y.Udagawa: "Electron momentum spectroscopy study of the two outermost orbitals of gloxal and biacetyl: Impact energy dependence of the momeutum profiles and comparison with theory at their high^-energy limits"Journal of Physics B. (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] M.Takahashi, Y.Khajuria, T.Saito, Y.Udagawa: "Probing Electron Momentum Densities of Molecular Orbitals Using a New Multichannel (e,2e) Spectrometer"Proceedings of Metza meeting. (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] M.Takahashi, T.Saito, M.Matuso, Y. Udagawa: "A high sensitvity electron momentum spectrometer with simultaneous detection in energy and momentum"Rev. Sci. Instrum.. 73. 2242-2247 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] M.Takahashi and Y.Udagawa: "An Electron Momentum Spectroscopy Study on Molecules Having Two Equivalent Functiona1 Groups"Many-Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces. 369-379 Plenum Press. (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] M. Takahashi T.Saito, J.Hiraga, Y.Udagawa: "Electron momentum spectroscopy study of the two outermost orbitals of glyoxal and biacetyl: Impact energy dependence of the momentutn profiles and comparison with theory at their high-energy limits"Jounal of Physics B,inpres. (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] M Takahashi, Y Khajuria, T Saito, and Y Udagawa: "Probing Electron Momentum Densities of Molecular Orbitals Using a New Multichannel (e,2e) Spectrometer"Proceedings of Metza meeting,in press. (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2002 Final Research Report Summary
  • [Publications] Masahiko.Takahashi, Taku Saito, Motoaki Matuso, Yasuo Udagawa: "A high sensitivity electron momentum spectrometer with simultaneous detection in energy and momentum"Review of Scientific. Instruments. 73. 2242-2248 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] M.Takahashi, Y.Udagawa: "An Electron Momentum Spectroscopy Study on Molecules Having Two Equivalent Functional Groups"Many-Particle Spectroscopy of Atoms, Molecules Clusters, and Surfaces. 2001. 369-379 (2001)

    • Related Report
      2001 Annual Research Report

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

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