3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF EXOTHERMIC REACTIVE SYSTEMS (F+H-2 AR+H-2(+)) EMPLOYING NEGATIVE IMAGINARY ARRANGEMENT DECOUPLING POTENTIALS

In this work we consider two highly exothermic systems, F + H-2(upsilon = 0, j) --> HF(upsilon', j') + H and Ar + H-2+(upsilon = 0,j) --> ArH+(upsilon', j') + H. Reactive probabilities were calculated for J = 0 only.The main findings are: (a) The F + H-2 system is characterized 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.