Abstract
Single-bonded fulleride polymers of one-, two- and three-dimensional phases have been investigated theoretically using the Hückel model. Parameters for the sp3 hybridized carbon atoms forming the bonds have been found by fitting the energy spectrum and bond orders of the bonding atoms of a single-bonded C60 dimer to the results of Valence Effective Hamiltonian calculations. Our calculations strongly support previous results and lead to the general conclusion that each electron added to C60 stimulates the creation of one single bond to a neighbouring C60 anion. Furthermore, despite the fact that the intermolecular bonds are formed between two sp3 hybridized carbon atoms, all the polymer phases exhibit extended states.