Theoretical study of the O(¹D) + H₂(¹Σ_g⁺) reactive quenching process

Abstract

Classical trajectory calculations have been made for the system O(¹ D) + H ₂(¹Σ _g ⁺) →OH(²Π) + H(² S) using an analytical singlet ground state surface for H ₂O. A rate constant of 1·73 × 10^-10 cm³ molecule^-1s^-1 at 300 K has been obtained. The distribution of energy in the products is approximately 30 per cent in translation, 45 per cent in vibration and 25 per cent in rotation. Because of the preponderance of vibrationally long-lived trajectories, statistical theories gave a good interpretation of the gross features of the reaction.