MOLECULAR GEOMETRIES AND HEATS OF FORMATION OF C-60 AND C-70 AS COMPUTED BY MM2-87

MM2-87 calculations have been performed on C60 (buckminsterfullerene; footballene) and C70 with full energy minimization. The steric energies for C60 and C70 were computed to be 179.9 and 177.9 kcal/mol, respectively. The heats of formation for C60 and C70 were computed to be 519.8 and 582.6 kcal/mol, respectively. On a per carbon atom basis, C70 is found to be more stable than C60. The two bond lengths for C60 were computed to be 1.393 and 1.444 angstrom. Eight different bond lengths were found for C70 ranging from 1.386 to 1.452 angstrom. Bond angles, dihedral angles, and moments of inertia are also reported for the compounds.