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
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