Interaction of Atomic Nitrogen with Electronically Excited Molecular Oxygen: a Theoretical Study

Abstract

Under conditions of violation of the thermodynamic equilibrium between the internal degrees of freedom of particles, the kinetics of the ongoing physicochemical processes can differ significantly from the equilibrium case. One of the important reactions responsible for the formation of nitrogen oxides in air is the reaction of a nitrogen atom with an oxygen molecule, which can be in the ground state as well as in the electronically excited states under the influence of a nonequilibrium electric discharge, resonant laser radiation or behind the front of a strong shock wave. Quantum chemical calculations were performed using the extended multi-configuration quasi-degenerate perturbation theory to study the reaction of the interaction of a nitrogen atom with an electronically excited molecule O2 molecule in the electronic states a 1 g and b 1 g +