Abstract

The aromatic character of fullerene C40 isomers was examined by the topological resonance energy and the percentage topological resonance energy models. It was found that they all are highly aromatized at the polyvalent anionic states. The nucleus‐independent chemical shifts at the cage center and the 2(N + 1)2 rule cannot be used as an indicator of the aromatic stabilization for C40 isomers and their molecular ions. In addition, we utilized the bond resonance energy model to estimate the kinetic stability of C40 isomers and their molecular ions. The results reveal that the kinetic stability of C40 isomers can be greatly enhanced at their polyvalent anionic states. Both the aromaticity and kinetic stability are closely related to the local structure and the cyclic motion of π electrons. Copyright © 2011 John Wiley & Sons, Ltd.

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