Non-classical (NC), heptagon-containing fullerenes obtained chlorination-promoted cage transformations: C(NC2a)Cl and C(NC2b)Cl.

High-temperature chlorination of C fullerene with SbCl proceeds five Stone-Wales rearrangements, resulting in non-classical (NC) C(NC1a)Cl with two heptagons and 14 pentagons partically fused in pairs and triples. C(NC2b)Cl with isomeric carbon cage was obtained by chlorination-promoted cage shrinkage of C two C losses. The pathways of skeletal cage trasformations, the chlorination patterns, and formation energies are discussed in detail.