Various derivatives of the fullerene C 60 have been reported as prosperous superconductors. A charge transfer in the derivatives implies Jahn-Teller distortion of the icosahedral fullerene cage. This can be well documented by quantum-chemical calculations. Computational illustrations are given on the fullerene interactions with ClI, alkaline metals, and sodium azide NaN3 based on the semiempirical quantum-chemical methods AM1 and SAM1. Treated are also structures based on boron nitride. The results of computations could be used in search of structure/activity correlations with the Tc temperature.
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