C60, C70, C76, C78 and C84: numbering, π-bond order calculations and addition pattern considerations

Abstract

The increasing number of fullerene derivatives now being produced raises the problem of site identification within a given molecule. Some nomenclature aspects for C₆₀, C₇₀, C₇₆, C₇₈ and C₈₄, and problems which arise from this are described. A site location system for each fullerene is proposed. π-Density calculations have been performed for each of these fullerenes in order to predict sites that may be involved in the addition of non-bulky reagents. Possible addition sites for bulky reagents are also identified on the basis that no two groups can be adjacent and symmetrical addition is optimal.