Accurate theoretical predictions on the mechanisms of OSiS formation and its dissociation channels

M. A. M. Paiva , B. Lefloch (1) , B. R. L. Galvão

1 IPAG - Institut de Planétologie et d'Astrophysique de Grenoble

Multireference configuration interaction calculations are performed to investigate the potential energy surface of the S+SiO and O+SiS reactions, which are of astrochemical relevance. Several singlet and triplet electronic states are calculated in order to explore the reaction paths. It is shown that although collisions with ground-state reactants do not lead to the OSiS molecule adiabatically, the probabilities for such a spin-forbidden process are high. It is also predicted that SiS is easily converted to SiO. Spin orbit couplings and other properties are also calculated and several electronic states are explored.

Keywords: astrochemistry; molecular data; ISM: molecules

Domains: Sciences of the Universe [physics]; Astrophysics [astro-ph]

M. A. M. Paiva, B. Lefloch, B. R. L. Galvão. Accurate theoretical predictions on the mechanisms of OSiS formation and its dissociation channels. Monthly Notices of the Royal Astronomical Society, 2018, 481, pp.1858-1861. ⟨10.1093/mnras/sty2382⟩. ⟨insu-03693514⟩