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Structures and Dynamics of Negatively-Charged Molecular Clusters

Research Project

Project/Area Number 06453015
Research Category

Grant-in-Aid for General Scientific Research (B)

Allocation TypeSingle-year Grants
Research Field Physical chemistry
Research InstitutionThe University of Tokyo

Principal Investigator

NAGATA Takashi  The University of Tokyo, College of Arts and Sciences, Associate professor, 教養学部, 助教授 (10164211)

Co-Investigator(Kenkyū-buntansha) TSUKUDA Tastuya  The University of Tokyo, College of Arts and Sciences, Research assistant, 教養学部, 助手 (90262104)
Project Period (FY) 1994 – 1995
Project Status Completed (Fiscal Year 1995)
Budget Amount *help
¥6,300,000 (Direct Cost: ¥6,300,000)
Fiscal Year 1995: ¥1,400,000 (Direct Cost: ¥1,400,000)
Fiscal Year 1994: ¥4,900,000 (Direct Cost: ¥4,900,000)
KeywordsMolecular cluster anions / Photoelectron spectroscopy / Isomers / Cluster ion-molecule reaction / Charge resonance complex / 気相分子クラスター / 電子束縛状態 / クラスター負イオン
Research Abstract

In the present study, we have concentrated our attention to (1) the geometrical and electronic structures and (2) reactivities of negatively-charged molecular clusters :
(1) The electronic structures of [(CO_2)_nROH]^-(R=H,CH_3, and C_2H_5) were investigated by photoelectron spectroscopy. The analysis of the spectra revealed that two forms of isomers coexist in [(CO_2)_nROH]^-(2*n*3) ; one has an electronic structure described as [C_2O_4^-・ROH(CO_2)_<n-2>]where the excess electron is delocalized over two CO_2 molecules, and the other involves a monomer anionic core as [CO_2^-・ROH(CO_2)_<n-1>]. This is one of the few experimental rasults which demonstrates the coexistence of isomers of negatively-charged molecular clusters having defferent electronic structures. The present findings are also supported byab initio calculations at the unrestricted Hatree-Fock levels.
(2) New type of gas-phase reactions involving nagatively-charged molecular clusters were investigated by mass spectrometric technique combined with photoelectron spectroscopy. For example, we have reported reactions of (CO_2)_n^-with CH_3I leading to the formation of a novel molecular anion [CO_2CH_3I]^-, which has not been observed in the corresponding condensed-phase reaction. It turned out that [CO_2CH_3I]^-has a large vertical detachment energy, implyintg that the excess electron is delocalized over [CO_2CH_3I]^-to form an acetate-iodine complex [CH_3CO_2-I]^-. This suggests that (CO_2)_n^-reacts with CH_3I via anucleophilic process. Ab initio calculations are under way to get information on the geometrical and electronic structures of [CO_2CH_3I]^-.

Report

(3 results)
  • 1995 Annual Research Report   Final Research Report Summary
  • 1994 Annual Research Report
  • Research Products

    (11 results)

All Other

All Publications (11 results)

  • [Publications] T.Tsukuda: "Collision processes of size-selected cluster anions, (C_6F_6)^- (n=1-5) with a silicon surface" Journal of Physical Chemistry. 99. 6367-6373 (1995)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] H.Yasumatsu: "Solvent effects on collisional processes of size-selected I_2^-(CO_2)_n cluster ions with silicon surface" Surface Review Letters. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Tsukuda: "Formation of [(CO_2)_nCH_3I]^- anions in reaction of CO_2^- with CH_3I" Chemical Physics Letters. (in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Tsukuda, H.Yasumatsu, T.Sugai, A.Terasaki, T.Nagata and T.Kondow: "Collision Processes of a Size-Selected (C_6F_6)^-(n=1-5) with a Silicon Surface." Journal of Physical Chemistry. 99. 6367-6373 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] H.Yasumatsu, T.Tsukuda, T.Sugai, A.Terasaki, T.Nagata and T.Kondow: "Solvent Effects on Collisional Processes of Size-Selected I_2^-(CO_2)_nCluster Ions with Silicon Surface" Surface Review Letters. (in press.).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Tsukuda, M.Saeki and T.Nagata: "Formation of [(CO_2)_nCH_3I]^- anion in reaction of (CO_2)_N^- with CH_3I." Chemical Physics Letters. (in press.).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1995 Final Research Report Summary
  • [Publications] T.Tsukuda: "Collision processes of size-selected cluster anions, (C_6F_6)^-(n=1-5)with a silicon surface" Journal of Physical Chemistry. 99. 6367-6373 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Yasumatsu: "Solvent effects on collisional processes of size-selected I_2^-(CO_2)_ncluster ions with silicon surface" Surface Review Letters. (in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Tsukuda: "Formation of[(CO_2)_nCH_3I]^-anions in reaction of CO_2^-with CH_3I" Chemical Physics Letters. (in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Nagata: "Photodissociation Dynamics of Ar_n^+ Cluster Ions." Laser Chemistry. 14. 15-29 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] T.Tsukuda: "Preferential Electron Capture in Mixed Clusters,X(HCN)_m X=CO_2,SF_6,O_2 & C_2H_5OH." Chemical Physics Letters. 218. 1-6 (1994)

    • Related Report
      1994 Annual Research Report

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Published: 1994-04-01   Modified: 2016-04-21  

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