Theoretical study of stereodynamics for the O(³P) + H₂ → OH + H reaction

This paper employs the quasi-classical trajectory calculations to study the influence of collision energy on the title reaction on the potential energy surface of the ground ³A' triplet state developed by Rogers et al. (J. Phys. Chem. A 2000 104 2308). It calculates the product angular distribution of P( \theta _\rm r ), P( \phi _\rm r ) and P( \theta _r, \phi _\rm r ) which reflects vector correlation. The distribution P( \theta _\rm r ) shows that product rotational angular momentum vectors j' of the products are strongly aligned along the relative velocity direction k. The distribution of P( \phi _\rm r ) implies a preference for left-handed product rotation in planes parallel to the scattering plane. Four different polarisation-dependent cross-sections are also presented in the centre-of-mass frame. Results indicate that OH is sensitively affected by collision energies of H_2.