Abstract
Abstract Isolable fullerene isomers must be kinetically very or fairly stable. It was found that both the minimum bond resonance energy (min BRE) and the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy separation are useful for estimating the kinetic stability of fullerene molecules. A fullerene isomer must be difficult to isolate from the arc-produced soot if it has a min BRE of less than −0.100 |β| and/or a HOMO-LUMO energy separation smaller than 0.130 |β|. All fullerene isomers so far isolated are kinetically stable in this sense. Candidates for isolable fullerene isomers were chosen by evaluating these two indices.
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