GENERALIZED VALENCE-BOND ORBITAL INTERACTIONS (GVB-OI) AND STABILIZATION (RESONANCE) ENERGIES - PART II - BUCKMINSTER FULLERENE (C-60)

In a generalized valence bond (GVB) set up, the stabilization (resonan ce) energy of buckminster fullerene, BFi (C-60), has been determined f rom the minimization energies associated with Pauli's orbital interact ions (POI) involving all its sixty 2p(z) (GVB) carbon orbitals. As an useful guide, BFi has been considered to contain six independent napht halene skeletons at a time on its spheroidal surface and on that basis the stabilization (resonance) energy of BFi has been calculated by co nsidering POI in all the independent naphthalene skeletons obtainable in the best possible way from the twenty hexagonal carbon rings presen t in BFi. (C) 1998 Elsevier Science B.V.