A–X transition of SnO+: a theoretical study

Relativistic configuration interaction calculations have been carried out to obtain the electronic structure and spectroscopic properties of the low-lying electronic states of SnO+. Potential curves of several Λ–S states have been generated. Spectroscopic constants of the X2Π, A2Σ+, and B2Σ+ states are estimated. The spin–orbit coupling is included in two steps. The computed dissociation energies of the ground and first excited states of SnO+ are compared with the experimental values. The vertical ionization potentials of the ground-state SnO to the ground and first excited states of SnO+ have been calculated. The electric dipole moment functions of the X2Π and A2Σ+ states of SnO+ are also calculated. The effect of the spin–orbit interaction on the A2Σ+–X2Π transition is discussed in detail. The radiative lifetimes of the excited A2Σ+ and B2Σ+ states are reported.