• Title of article

    Reactivity of fullerenes family towards radicals in terms of local curvature

  • Author/Authors

    Sabirov، نويسنده , , D.Sh. and Bulgakov، نويسنده , , R.G.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    6
  • From page
    185
  • To page
    190
  • Abstract
    Structural peculiarities of C20, C24, C30, C36, C40, C60, C70, and C76 fullerenes and respective fullerenyl radicals formed by additions of H, F, Me radicals to a fullerene have been studied. For the first time linear correlations between heat effects of the reactions of radical addition to fullerenes and the local curvature of the carbon surface have been found. These correlations have been used for the prognosis of chemical properties of higher (C78 and C84) and bulky (C540) fullerenes.
  • Keywords
    Fullerenes , Density functional theory , radical addition , curvature , Fullerenyl radicals
  • Journal title
    Computational and Theoretical Chemistry
  • Serial Year
    2011
  • Journal title
    Computational and Theoretical Chemistry
  • Record number

    2284691