Weighted Homo-Lumo Energy Separations for the Polyene References of Fullerenes with Up to 100 Carbon Atoms

The T value represents the HOMO-LUMO energy separation of a ε-electronic system weighted with the number of conjugated atoms. We found that this value is kept almost constant for the polyene references defined graph-theoretically for isolated-pentagon isomers of fullerenes with up to 100 carbon atoms. on this numerical basis, the T value can safely be considered as a realistic index of kinetic stability or chemical inertness for all fullerenes without abutting pentagons.