A low energy quasiclassical trajectory study of N + +H2. Potential energy surface effects

A low energy quasiclassical trajectory study has been performed on three potential energy surfaces, obtained by modifying the recent ground state ab initio potential energy hypersurface by Wilhelmsson et al. for the N⁺(³P)+H₂(¹Σ⁺_g)→NH⁺ (²Π)+H(²S) reaction. The importance of explicit consideration of the asymptotic ion-induced dipole and ion-quadrupole interactions in the entrance channel is demonstrated. Reaction cross sections as a function of collision energy (approximately in the range 0.06-0.4 eV in c.m.) are presented.