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
Link To Document :
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