Several small molecular systems containing species of second and third row atoms have been detected in planetary and astrophysical media. Among these species, the related phosphorus mononitride PN and sulfur nitride SN are important molecular species in the atmosphere of Jupiter and Saturn and have been detected in several regions in the interstellar medium (ISM) and circumstellar medium (CSM). The corresponding molecular formation processes account, for instance, for the depletion of sulphur, which is depleted by an order of magnitude or more from its elemental abundance in star-forming regions. The recent direct observation of phosphorus mononitride in supergiant starVY CMa suggests the existence of more phosphorus molecules in the presence of oxygen or sulfur such as PNS and PNO. In this talk, we will present an accurate study of the spectroscopy, stability and the low-lying electronic states of [S,N,P] molecular system. We use different <i>ab inito</i> methods such as coupled cluster theory CCSD(T) and internally contracted multireference configuration interaction MRCI to compute multi-dimensional potential energy surfaces of this system.

Accurate structure and spectroscopy of small molecular systems of astrophysical interest

255th National Meeting (2018)

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