The calculation of the bound and quasibound vibrational states for ozone in its B-1(2) electronic state

The bound and quasibound vibrational states of ozone in the B-1(2) electronic state have been calculated using the stabilization method. The calculation was based on an nb initio potential energy function from the literature. From the topology of this surface, we determine the molecular symmetry group of B-1(2) O-3 to be C-2v(M). The parameters of resonances in the 750-2750 cm(-1) energy range relative to the O-2((1) Delta(g)) + O(D-1) dissociation limit are given. The effective vibrational constants obtained by fitting the calculated vibrational energy levels are compared with the corresponding experimental values. The agreement is satisfactory and supports the assignment of the Huggins band to the B-1(2) <-- X(1)A(1) electronic transition.