THEORETICAL EVIDENCE FOR A C-60 WINDOW MECHANISM

On the basis of semiempirical and high-level ab initio calculations, t heoretical evidence is presented of a ''window'' mechanism operable on the surface of C60 and other fullerenes. Through this mechanism, larg e holes may be formed in fullerenes excited to their triplet state, op enings through which atoms and small molecules can pass. This work pro vides a theoretical foundation for experiments that have prepared endo hedral noble gas compounds of C60 under thermal excitation. A method i s proposed that could increase the efficiency of the process of noble gas insertion into C60 and provide a more general means to create endo hedral fullerene compounds.