Quasiclassical Study of the C(3P) + NO(X2Π) and O(3P) + CN(X2Σ+) Collisional Processes on an Accurate DMBE Potential Energy Surface.

ABSTRACT

The predicted rate constants for C + NO and O + CN collisions in three potential energy surfaces (PESs) for the 2A' state of the CNO molecule are compared using quasiclassical trajectories. Different temperature dependencies are obtained for the C + NO reaction, which are explained in terms of the long-range properties of the PESs. Recommended values and mechanistic details are also reported. For O + CN collisions, a better agreement between the theoretical results is found, except for temperatures below 100 K.