Theoretical study of the low-lying electronic states, including the spin-orbit interactions, of the sulfur monochloride cation

High-level ab initio computations have been performed on the experimentally unknown species SCl+. The low-lying Λ-S electronic states correlated to the first and the second dissociation channels as well as their corresponding Ω states have been investigated by the icMRCI+Q methodology employing basis sets up to quintuple-ζ quality. Information about potential energy curves, electron configurations, spectroscopic constants, dipole moments and...