Abstract
Both force-field (MMPI) and AMI (restricted and unrestricted HF) calculations are herein used to investigate the underlying reasons for the fullerene-fulleroid structural dichotomies observed in carbene, silylene, nitrene, and oxygen adducts of C[sub 60]. Via the investigation of a series of model systems, it is demonstrated that curvature actually favors the open, fulleroid structure; this effect of curvature on the norcaradiene-cycloheptatriene equilibrium is general. Strategies for the creation of 6,6-bridged fulleroids are suggested. 29 refs., 6 tabs.
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