• DocumentCode
    1887374
  • Title

    Theoretical analysis of C/sub 60/ and its pt-derivative

  • Author

    Kee Hag Lee ; Han Myoung Lee ; Wang Ro Lee

  • Author_Institution
    Wonkwang University
  • fYear
    1994
  • fDate
    24-29 July 1994
  • Firstpage
    189
  • Lastpage
    189
  • Abstract
    Summary form only given. The electronic structures of the C/sub 60/, (H/sub 3/P)/sub 2/Pt(/spl eta//sup 2/-C/sub 2/H/sub 4/) and (H/sub 3/P)/sub 2/Pt(/spl eta//sup 2/-C/sub 60/) are calculated by using the EHT-MO method with the fragment analysis. We have modified the EHT parameters so as to yield the energy level correlation and optical transition gap for the previous theoretical results of C/sub 60/. In Pt-derivatives, our FMO results with the modified parameters show that the carbon-carbon double bonds of C/sub 60/ and ethene react like those of electron-poor arenes and alkenes, and also that C/sub 60/ is more electron-susceptive than C/sub 2/H/sub 4/.
  • Keywords
    Energy states;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Science and Technology of Synthetic Metals, 1994. ICSM '94. International Conference on
  • Conference_Location
    Seoul, Korea
  • Type

    conf

  • DOI
    10.1109/STSM.1994.834994
  • Filename
    834994