Abstract
The small fullerenes, C 36 n (n=0,2+,2−) and their heteroanalogues (C 30N 6, C 30B 6, C 24 N 12 and C 24 B 12 ) have been investigated at the density functional B3LYP/6-31G* level of theory. The aromaticity of these systems was characterized systematically by using the computed nucleus independent chemical shifts values at the cage center and also at the center of individual rings. The hydrogenation product, C 36H 36, may be experimentally observable considering the calculated strain energy.
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