Abstract

The bond resonance energy (BRE) represents the contribution of a given {pi} bond in a molecule to the topological resonance energy. Kinetic stabilities of fullerenes and their molecular ions were interpreted successfully in terms of the BREs. Fullerene cations have highly reactive {pi} bonds with large negative BREs. In contrast, few {pi} bonds in multiply charged fullerene anions have large negative BREs. Thus, fullerenes and their molecular ions with highly antiaromatic {pi} bonds are predicted to be incapable of formation and survival during the synthetic process. Such a trend in kinetic stability is in agreement with experiment. 38 refs., 1 fig., 2 tabs.

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