Penultimate Intermediates to C₆₀ and C₇₀

Abstract

Abstract Penultimate intermediates leading to C60 and C70 fullerenes contain one or two pairs of pentalene units and 32 to 55 kcal/mol less stable than the final products. Energy barriers of pyracylene rearrangements from these intermediates to the final products are computed to be 118 to 125 kcal/mol in height by MOPAC/AM1, which are comparable to those of preceding steps in the Stone-Wales rearrangement cascade.