Molecular electrostatic potential topographical studies on the structural motifs of C60

Abstract

Molecular electrostatic potential topographical studies on the structural motifs of C₆₀ reveal unusual features. Ethylene, [5]radialene and corannulene are predicted to be structural motifs present in C₆₀. However, benzene does not fit into this framework. The double bonds in all the above molecules are activated upon pyramidalization at the carbon centre, the extent depending on the anisotropic environment of the conjugated carbon. The peripheral double bonds in corannulene are predicted to be more susceptible to electrophilic attack in comparison to the exocyclic double bonds of the five-membered ring.