Kinetic stability of fullerenes with four-membered rings

Abstract

The bond resonance energy (BRE, Ebr) represents the contribution of a given π bond in a molecule to the topological resonance energy (TRE, Etr). It is useful for seeking the reactive sites in a cyclic π-electron system. Calculated Ebr support of the view that some fullerences with two four-membered and four fewer five-membered rings might be more stable than the normal fullerence isomers. Some such fullerenes have no highly reactive π bonds, presumably being capable of formation and survival during synthetic processes.