Electronic spectrum of SnC: A theoretical study

Electronic structure and spectroscopic properties of the SnC molecule in the ground and excited states have been investigated by using multireference singles and doubles configuration interaction (MRDCI) method which includes relativistic effective core potentials (RECP). Potential energy curves (PEC) of 40 Λ-Σ electronic states within 6 eV are constructed. Spectroscopic constants (re, Te, ωe) and dipole moments (μe) of at least 31 states have been computed. The ground state of SnC has a dissociation energy of about 3.19 eV. Effects of the spin-orbit (SO) coupling on some of the low-lying states are investigated. The overall SO splitting of the ground state is more than 1000 cm−1. Transition probabilities of some dipole allowed singlet-singlet and triplet-triplet transitions are calculated. Radiative lifetimes for several spin-forbidden transitions such as those from b1Π1 to 2, 1, 0+, and 0− components of X3Π are also estimated.