Theoretical Study Of Stereodynamics For The Reaction O(3^P)+H₂

Quasi-classical trajectory (QCT) calculations have been employed to studythe influence of collision energy,the reagent rotational quantum number,reagent vibrational excitation and the isotope effect of oxygen atom on thereactions of O(3^P)+H₂ on the GLOD potential energy surface (PES) of the ground3^A'/3^A'' state developed by Rogers et al [J. Phys. Chem. A. 104, 2308 (2000)].Theangular distribution of the product, (pθ r), p(φ_r)and p(θ r)p (θ r ,φ r)have beencalculated which could reflect the vector correlation. The distributionof (pθ) rshown that the rotational angular momentum vectors j' of the productswere strongly aligned along the relative velocity direction k, and thedistribution of (pφ) rwhich implied a preference for the left-hand productrotation in planes parallel to that of the scattering plane. Furthermore, fourplarization-dependent different cross-sections (PDDCSs) also presented in thecenter-of-mass frame respectively. Furthermore, and the characters of one ofthe reactions, scalar properties, such as the reaction probability, the totalcross section, and vector properties, and the product rotational alignmentsP₂(j', k) are also calculated. The results indicated that the products wereaffected by the influence of collision energy,the reagent rotational quantumnumber,reagent vibrational excitation and the isotope effect of oxygen atom,and the influence of reactions shows different characters with the variabilityreagent.