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 B_v and centrifugal distortion terms D_v, H_v and L_v 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.