Three-dimensional quantum mechanical study of exothermic reactive systems (F+H2; Ar + H+2) employing negative imaginary arrangement decoupling potentials

Abstract In this work we consider two highly exothermic systems, F+H 2 ( v =0, j ) → HF( v ′, j ′)+H and Ar+H + 2 ( v =0, j ) → ArH + ( v ′, j ′)+H. Reactive probabilities were calculated for J =0 only. The main findings are: (a) The F+H 2 system is characteriz by forming products with inverted vibrational distribution. In the case of AR+H + 2 the product vibrational distribution is even. (b) The initial rotational quantum number j has a strong effect on the reactivity; in both cases the reaction probabilities drop significantly as j increases.