Astrochemical Significance of the P + SO Reaction: Spectroscopic Characterization of SPO, PSO, and SOP Isomers

The doublet and quartet potential energy surfaces for the P + SO → PO S reaction are explored using highly accurate explicit correlation multireference configuration interaction method, is found to be thermodynamically favorable, with an exothermicity value of 70.5 kJ mol−1. electronic structure, spectra, bond dissociation energies intermediates involved in reaction, such as SPO, PSO, SOP, calculated high-level quantum chemistry methods. An explanation nondetection diatomic SP proposed. At pressures relevant astrochemistry, overwhelmingly bimolecular, a predicted rate coefficient 2.1 × 10−10 (T/300)−0.23 cm3 molecule−1 s−1. results from this study expected aid spectroscopic detection these new species laboratory interstellar medium.