Low-lying electronic states and spectroscopic properties of InCl and InCl

Electronic structure and spectroscopic properties of the low-lying electronic states of InCl and InCl have been studied from the ab initio based relativistic configuration interaction calculations. Spectroscopic constants (re, Te, xe) and potential energy curves of the electronic states of these species within 8 eV have been reported. Effects of the spin–orbit coupling on the electronic spectrum of both the species are explored in detail. The radiative lifetimes for AP0þ–X R0þ , B P1–XR þ 0þ and C P1–XR þ 0þ transitions of InCl, and B R– XR and CP–XR of InCl are computed and compared with the available data. Transition probabilities of the parallel and perpendicular components of both B–X and C1–X transitions are calculated. The electric dipole moments (le) of InCl and InCl + in their lowlying states are calculated. The computed vertical and adiabatic ionization energies of InCl are also reported. 2007 Elsevier B.V. All rights reserved.