• Title of article

    Ti2C80 is more likely a titanium carbide endohedral metallofullerene (Ti2C2)@C78

  • Author/Authors

    Lu، Xin نويسنده , , Tan، Kai نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    -4443
  • From page
    4444
  • To page
    0
  • Abstract
    We show by means of density functional calculations that the previously synthesized metallofullerene Ti2C80 does not take the form of Ti2@C80, but is a titanium carbide endohedral metallofullerene, Ti2C2@C78, that has a C78^6–(D3h) cage which follows faithfully the stable closed-shell electronic rule.
  • Keywords
    Fenton-like , Oxidation , H2O2 , Orange II , Carbon-Fe catalysts
  • Journal title
    CHEMICAL COMMUNICATIONS - LETCHWORTH
  • Serial Year
    2005
  • Journal title
    CHEMICAL COMMUNICATIONS - LETCHWORTH
  • Record number

    70839