Theoretical study of the stereo-dynamics of the reaction H plus FO → OH plus F

Based on the adiabatic potential energy surface of the 1(3)A '' triplet state, the influences of collision energy and reagent of rotational excitation on product polarization for the reaction H + FO(0, j) -> OH + F are studied by using quasi-classical trajectory (QCT) method. Four polarization dependent generalized differential cross-sections (2 pi/sigma)(d sigma(00)/d omega(t)), (2 pi/sigma)(d sigma(20)/d omega(t)), (2 pi/sigma)(d sigma(22+)/d omega(t)) and (2 pi/sigma)(d sigma(21-)/d omega(t)) have been calculated in the center-of-mass frame. The obtained P(0(r)), P(phi(r)) and P(0(r), phi(r)), which denotes respectively the distribution of angles between k and f', the distribution of dihedral angle denoting k-k'-f' correlation and the angular distribution ofproduct rotational vectors in the form of polar plots, indicate that both the orientation and the alignment of the rotational angular moment are all impacted by collision energies. (C) 2009 Elsevier B.V. All rights reserved