Abstract

Structural peculiarities of fullerenes C20, C24, C30, C36, C40, C60, C70, and C76 and their adducts with 1,3-dipolarophiles (ozone and diazomethane) were investigated by the DFT method with the PBE functional. A correlation between the heats of 1,3-dipolar addition reactions and the carbon surface curvatures at reaction sites in the original fullerene molecules was found.

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