Stereodynamics Study of the Reaction of O((3)P) with CH(4) (v = 0, j = 0)

A new London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES) is used in the O + CH(4) → OH + CH(3) reaction via the quasiclassical trajectory method (QCT). Comparing with the experiments and the former ab initio calculations, the new LEPS PES describes the actual potential energy surface of the O + CH(4) reaction successfully. The four polarization dependent “generalized” differential cross sections (PDDCS) are presented in the center of mass frame. In the meantime, the distribution of dihedral angle [P(φ(r)), the distribution of angle between k and j′ (P(θ(r))] and the angular distribution of product rotational vectors in the form of polar plots in θ(r) and φ(r) (P(θ(r), φ(r)) are calculated. The isotope effect for the reactions O + CD(4) is also calculated. These results are in good agreement with the experiments.