Studies of the N( 2D) + H 2 reaction on revised potential energy surfaces

Abstract

The dynamics of the N( 2D) + H 2 reaction has been studied by quasiclassical trajectory methods and compared with the experimental results. Several potential energy surfaces were used. The product vibrational distribution was affected by the modification of the entrance channel barrier. Neither the product vibrational nor rotational distribution was affected by the modification of the deep well, which corresponds to NH 2. The product rotational distribution was found to be mainly affected by the topology of potential energy surface at the exit channel region.