Preferential site of attack on fullerene cations: Frontier orbitals and rate coefficients

An analysis of reaction efficiency is described for the reactions of carbonaceous ions and molecules. The results have shown that the combination of experimental rate-coefficient measurements and computations of the condensed Fukui functions of frontier molecular orbitals and pyramidal angles of [pi] orbitals is useful for describing the reactive sites on fullerene carbon clusters in the gas phase.