Theoretical study of energy transfer from N2(A 3Σ+u) to molecular hydrogen

Quasiclassical trajectory calculations have been performed for motion on an ab initio potential energy surface to investigate energy transfer from N2(A 3∑+u, v=1, 3 and 6) to H2 and D2. Because of the unusual features of the surface, both vibrational relaxation and electronic quenching of N2(A) are observed, the latter process resulting in dissociation of the hydrogen molecule. It is deduced that coupling of the vibrational motions of the N2 and H2 molecules initiates the energy transfer process. The results are compared with experimental information on the quenching of N2(A) by σ-bonded molecules.