1,3-Dipolar addition reactions to fullerenes: the role of the local curvature of carbon surface

• DOI: 10.1007/s11172-008-0362-7
• Publication Date: 2010-02-18T04:01:30Z
• Authors: D. Sh. Sabirov; S. L. Khursan; R. G. Bulgakov
• Keywords: Diazomethane; Carbon fibers

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.