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A Study of Site-Specific Fragmentation by Using Core Excitation・with the Aim of Application to Molecular Knife-

Research Project

Project/Area Number 17550013
Research Category

Grant-in-Aid for Scientific Research (C)

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

Principal Investigator

NAGAOKA Shin-ichi  Ehime University, Graduate School of Science and Technology, Professor, 理工学研究科, 教授 (30164403)

Co-Investigator(Kenkyū-buntansha) MASE Kazuhiko  High Energy Accelerator Research Organization, Institute of Materials Structure Science, Associate Professor, 物質構造科学研究所, 助教授 (40241244)
TAKAHASHI Osamu  Hiroshima University, Graduate School of Science, Research Associate, 理学研究科, 助手 (60253051)
Project Period (FY) 2005 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥3,500,000 (Direct Cost: ¥3,500,000)
Fiscal Year 2006: ¥1,500,000 (Direct Cost: ¥1,500,000)
Fiscal Year 2005: ¥2,000,000 (Direct Cost: ¥2,000,000)
KeywordsChemical Physics / Atomic and Molecular Physics / Nano Material / Site-Specificity / Core / Molecular Knife
Research Abstract

With the aim of application to molecular knife, we studied site-specific fragmentation caused by core-ionization of organosilicon molecules (for example, F_3SiCH_2CH_2Si(CH_3)_3), N_2O, CF_3SF_5, and formic acid dimer (HCOOH)_2 by means of electron-ion coincidence spectroscopy in the vapor phase and condensed phase. The ab initio molecular orbital method was used for the theoretical description.
Site-specific fragmentation caused by Si:2p core-level photoionization. of F_3SiCH_2CH_2Si(CH_3)_3 vapor was studied by means of high-resolution energy-selected-electron photoion-photoion triple-coincidence spectroscopy. F_3SiCH_2CH_2^+-Si(CH_3)3^+ ion-pairs were produced by the 2p photoionization of the Si atoms bonded to the three methyl groups, and SiF^+-containing ion-pairs were produced by the 2p photoionization of the Si atoms bonded to the three F atoms.
The site-specificity was reduced in the Si:1s ionization. The site-specific ion desorption caused by N:1s photoionization of N_2O was not clearly revealed. The effective electron migration between the two nitrogen sites, which are connected with each other in N_2O, would be responsible for the disappearance of the site-specificity for the ion desorption.

Report

(3 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • Research Products

    (23 results)

All 2007 2006 2005

All Journal Article (23 results)

  • [Journal Article] Electron-Ion-Ion Triple-Coincidence Spectroscopic Study of Site-Specific Fragmentation Caused by Si : 2p Core-Level Photoionization of F_3SiCH_2CH_2Si(CH_3)_3 Vapor2007

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      Phys. Rev. A 75(2)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Electron-Ion-Ion Triple-Coincidence Spectroscopic Study of Site-Specific Fragmentation Caused by Si:2p Core-Level Photoionization of F_3SiCH_2CH_2Si(CH_3)_3 Vapor2007

    • Author(s)
      S.Nagaoka, G.Prumper, H.Fukuzawa, M.Hino, M.Takemoto, Y.Tamenori, J.Harries, I.H.Suzuki, O.Takahashi, K.Okada, K.Tabayashi, X.-J.Liu, T.Lischke, K.Ueda
    • Journal Title

      Phys.Rev.A 75(2)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Electron-Ion-Ion Triple-Coincidence Spectroscopic Study of Site-Specific Fragmentation Caused by Si : 2p Core-Level Photoionization of F_3SiCH_2CH_2Si(CH_3)_3 Vapor2007

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      Phys.Rev.A 75(2)

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Recent Progress in Coincidence Studies on Ion Desorption Induced by Core Excitation2006

    • Author(s)
      E.Kobayashi et al.
    • Journal Title

      J. Phys, : Condens. Matter 18(30)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Auger Decay Calculations with Core-hole Excited State Molecular Dynamics Simulations of Water2006

    • Author(s)
      O.Takahashi et al.
    • Journal Title

      J. Chem. Phys. 124(6)

    • NAID

      120000880586

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] Recent Progress in Coincidence Studies on Ion Desorption Induced by Core Excitation2006

    • Author(s)
      E.Kobayashi, K.Mase, A.Nambu, J.Seo, S.Tanaka, T.Kakiuchi, K.K.Okudaira, S.Nagaoka, M.Tanaka
    • Journal Title

      J.Phys. : Condens.Matter 18(30)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Auger Decay Calculations with Core-hole Excited State Molecular Dynamics Simulations of Water2006

    • Author(s)
      O.Takahashi M.Odelius, D.Nordlund, H.Bluhm, A.Nilsson, L.G.M.Pettersson
    • Journal Title

      J.Chem.Phys. 124(6)

    • NAID

      120000880586

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Chemical Shifts in ESCA and NMR : the Case of Bridged Trichlorosilyl-Trimethylsilyl Molecules2006

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      Bull. Chem. Soc. Jpn. 79(4)

      Pages: 537-548

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Site-Specific Fragmentation following F ls photoionization of Free CF_3SF_5 Molecules Studied by Electron-Ion Coincidence Spectroscopy2006

    • Author(s)
      H.Fukuzawa et al.
    • Journal Title

      Chem. Phys. Lett. 431(4-6)

      Pages: 253-256

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Inner-Shell Excitation Spectroscopy and Fragmentation of Small Hydrogem-Bonded Clusters of Formic Acid after Core Excitations at the Oxygen K Edge2006

    • Author(s)
      K.Tabayashi et al.
    • Journal Title

      J. Chem. Phys. 125(19)

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Recent Progress in Coincidence Studies on Ion Desorption Induced by Core Excitation2006

    • Author(s)
      E.Kobayashi et al.
    • Journal Title

      J.Phys. : Condens.Matter 18(30)

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Site-Specific Fragmentation Caused by Si : 1s Core-Level Photoionization of F_3SiCH_2CH_2Si(CH_3)_3 Vapor2005

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      Chem. Phys. Lett. 412(4-6)

      Pages: 459-463

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Ion Desorption Caused by N1s Core-Llevel Photoexcitation of N_2O on Si(100) Surface2005

    • Author(s)
      S.Nagaoka, K.Mase
    • Journal Title

      Surf. Sci. 593(1-3)

      Pages: 276-272

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Site-Specific Fragmentation Caused by Core-Level Photoexcitation : Comparison between Si : 1s and 2p Photoexcitations in F_3SiCH_2CH_2Si(CH_3)_3 Vapor2005

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      Int. J. Mass Spectrom. 247(1-3)

      Pages: 101-105

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Site-specific Fragmentation Caused by Si:1s Core-Level Photoionization of F_3SiCH_2CH_2Si(CH_3)_3 Vapor2005

    • Author(s)
      S.Nagaoka, Y.Tamenori, M.Hino, T.Kakiuchi, J.Ohshita, K.Okada, T.Ibuki, I.H.Suzuki
    • Journal Title

      Chem.Phys.Lett. 412(4-6)

      Pages: 459-463

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Ion Desorption Caused by N1s Core-Level Photoexcitation of N_2O on Si(100) Surface2005

    • Author(s)
      S.Nagaoka, K.Mase
    • Journal Title

      Surf.Sci. 593(1-3)

      Pages: 276-272

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Site-Specific Fragmentation Caused by Core-Level Photoexcitation : Comparison between Si:1s and 2p Photoexcitations in F_3SiCH_2CH_2Si(CH_3)_3 Vapor2005

    • Author(s)
      S.Nagaoka, A.Tamura, A.Fujii, J.Ohshita, K.Okada, T.Ibuki, I.H.Suzuki, H.Ohashi, Y.Tamenori
    • Journal Title

      Int.J.Mass Spectrom. 247(1-3)

      Pages: 101-105

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Site-specific fragmentation caused by Si:1s core-level photoionization of F_3SiCH_2CH_2Si(CH_3)_3 vapor2005

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      Chemical Physics Letters 412・4-6

      Pages: 459-463

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Ion desorption caused by N1s core-level photoexcitation of N_2O on Si(100) surface2005

    • Author(s)
      S.Nagaoka, K.Mase
    • Journal Title

      Surface Science 593・1-3

      Pages: 276-272

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Site-specific fragmentation caused by core-revel photoexcitation : Comparison between Si : ls and 2p photoexcitations in F_3SiCH_2CH_2Si(CH_3)_3 vapor2005

    • Author(s)
      S.Nagaoka et al.
    • Journal Title

      International Journal of Mass Spectrometry 247・1-3

      Pages: 101-105

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Studies of the X-ray absorption spectra of some methylcyano esters2005

    • Author(s)
      O.Takahashi et al.
    • Journal Title

      Journal of Electron Spectroscopy and Related Phenomena 142・2

      Pages: 113-119

    • NAID

      120000878832

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Molecularly intact and dissociative adsorption of water on clean Cu(110) : A comparison with the water/Ru(001) system2005

    • Author(s)
      K.Andersson, O.Takahashi et al.
    • Journal Title

      Surface Science 585・3

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Unimolecular decomposition of formic acid in the gas phase - On the ratio of the competing reaction channels2005

    • Author(s)
      K.Saito, O.Takahashi et al.
    • Journal Title

      Journal of Physical Chemistry A 109(24)

      Pages: 5352-5357

    • Related Report
      2005 Annual Research Report

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Published: 2005-04-01   Modified: 2016-04-21  

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