Determination of reaction mechanisms and rates involving SO and NO radicals

In this investigation, we find that the possible products in the ground state consist of cis-SONO, SNO2, trans-SONO, cis-NOSO, t-NOSO, NSO2, cis-OSNO, trans-OSNO, S + NO2 and N + SO2. All intermediate states of the reaction SO + NO are positive energy of formation relative to the reactants. According to the reaction profiles of SO + NO, the molecular structures of the reactants are shifted to S + NO2 (49.02 kcal/mol) and N + SO2 (25.22 kcal/mol) through four transition structures and shifted to trans-OSNO (13.39 kcal/mol) via three transition structures. The rates calculated with variational transition state theory show that for the temperature range 200 K-2000 K, three parameter Arrhenius equation produces the most accurate reaction rates.