THEORETICAL-STUDY ON THE STRUCTURE AND SPECTRA OF C120O

The double cages oxide C120O was investigated by INDO series methods, the results suggested that: the formation of C120O reduced the angle c onstraint at the three - membered ring of epoxide in C60O and the fura ne ring connected the two C-60 cages together. The direct: connection of the two C-60 cages rendered the two cages interact weakly to each o ther, however, the two cages still behaved with certain independence t o each other. C120O could discompose to new compounds. The electronic spectra of C120O were analogous to those of parent C-60.