SYMMETRICAL ISOMERS OF C60H36

Local density functional electronic structures of four isomers of C60H 36, which have been proposed in the literature, are studied at geometr ies given by an empirical potential The conjugation of the unsaturated bonds is quite different in each structure, yet the ionization potent ials of each are the same within 0.12 eV. There is even greater agreem ent among the electron affinities, which are negative. The tetrahedral isomer with four six-membered rings of unsaturated carbon atoms is en ergetically the most stable.