• Title of article

    Verification of the 2(N + 1)2 rule for fullerenes

  • Author/Authors

    Aihara، نويسنده , , Jun-ichi and Tamaribuchi، نويسنده , , Tsuguhiro، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2003
  • Pages
    6
  • From page
    104
  • To page
    109
  • Abstract
    In general, a neutral or charged fullerene with 2(N + 1)2 π-electrons exhibits a large negative NICS (nucleus-independent chemical shift) at the center of the carbon cage, where N is an arbitrarily chosen positive integer. This rule was verified on the basis of the fact that a fullerene π-system can be viewed as an electron gas bound on the spherical surface. Diamagnetic susceptibility was derived for this electron gas. Van Vleck paramagnetism is presumably minimized for fullerenes with 2(N + 1)2 π-electrons. It turned out that the NICS value at the cage center is not related to the global or local aromaticity in the cage.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2003
  • Journal title
    Chemical Physics Letters
  • Record number

    1784572