The quenching of Na*(3p) in collisions with N2: A classical trajectory study

Abstract

The quenching reaction Na(2P)+N2(1Σ+g,v,J)→Na(2S) +N2(1Σ+g,v′,J′) has been studied. Scattering calculations have been performed using the surface hopping trajectory method for the two energetically lowest potential energy surfaces of NaN2. The latter have been determined in an ab initio MRD-CI treatment. They exhibit a (avoided) crossing where quenching is likely to occur. Model potentials, which are constructed along the lines given by the ab initio surfaces, are used to investigate the influence of the shape of the potential on the scattering process. Cross sections and final translational energy distributions are compared with experimental data. Alignment and orientation as expressed by the collision induced density matrix have also been considered. Theoretical and experimental results show good agreement. The detailed analysis of the scattering calculations have provided with a better understanding of the quenching process.