The rovibronic spectra in UV absorption of S

Comprehensive rovibronic spectra for six electronic states of S2 − X3 Σg−, B′3Πu, B3 Σu−, b1Σg+, a1Δg, and f1Δu – are presented. The potential energy curves, electric dipole transition moments, orbital electronic angular momentum coupling, and spin-orbit coupling matrix elements were calculated using the multi-reference configuration interaction method. In addition, potential energy curves were refined via fitting to empirical energy levels. These data were used to estimate the intensities for rovibronic transitions. A set of molecular parameters for S2, including partition functions, lifetimes, cross sections, and spectral data, is established. The rovibronic transitions cover wavenumbers up to 70 000 cm−1 (λ >142 nm). Many observed experimental spectral bands were theoretically simulated. We expect that the spectra presented here will assist in characterizing exoplanetary atmospheres for future observational missions.