Accurate potentials for X 1Σ+, A 3Π1 and B 3Π +0 states of l35Cl from experimental data
Abstract
A detailed investigation of the potential-energy curves up to dissociation for the low-lying X 1Σ+, A 3Π1 and B 3Π+0 states of l 35Cl has been performed on the basis of perturbed Morse oscillator–Rydberg Klein Rees–long-range potential calculations. New molecular constants necessary for construction of the potential functions were obtained from the available spectroscopic information. As a critical test on the accuracy of the potentials, eigenvalues, rotational constants Bv and centrifugal distortion terms Dv, Hv and Lv were calculated by numerical Integration of the radial wave equation. The computed eigenvalues agree well with experimental results. For the adiabatic B 3Π+0 state with a potential barrier, probability density distributions are also shown.