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

Abstract

The bound and quasibound vibrational states of ozone in the ¹B₂ electronic state have been calculated using the stabilization method. The calculation was based on an ab initio potential energy function from the literature. From the topology of this surface, we determine the molecular symmetry group of B₂ O₃ to be C_2v(M). The parameters of resonances in the 750–2750 cm^-1 energy range relative to the O₂(¹Δ_g) + O₂(¹D)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 ¹B₂ X¹A₁ electronic transition.