POSSIBLE O6+ STRUCTURES OBTAINED BY A SEMIEMPIRICAL SCF-MO METHOD

A semiempirical SCF-MO method which considers intermolecular differential overlap has been used to compute the total dissociation energy (to 2O 2+O2+) for various planar structures of O 6+. The five more stable structures with dissociation energies about two-thirds the experimental value are all possible structures at the potential minimum. It is concluded that the spins of the five 1πg-like" electrons are probably parallel in the O 6+ ground state."