Radical SBr: A challenge to spectroscopists?

A theoretical description of the electronic states of the SBr radical at a high level of correlation effects treatment is presented for the first time. Most of its potential energy curves have a repulsive nature, but a set of bound (2)Pi states should provide a means for the experimental characterization of this species. The ground state can support over 40 vibrational states, but transitions from the 2 (2)Pi state, with a very shallow well (four levels), should have intensities spread over a maximum around v"=10; lower vibrational levels can only be accessed for transitions from two high-lying Rydberg states. A whole set of spectroscopic constants, including vibrationally averaged spin-orbit coupling constants, and radiative transition probabilities and lifetimes quantify the theoretical description, thus supplying reliable results to guide the experimental investigation of this species. (c) 2006 American Institute of Physics.