A quantum chemical study of the N2H+ + e-→NH + N reaction

A theoretical investigation of the DR of N₂H⁺ to give N + NH has been undertaken because it is of interest for astrochemistry but also because the DR of N₂H⁺ has been determined experimentally leading to controversial results. Using the same level of theory used to investigate the DR of N₂H⁺ along the N₂ + H reaction path, the present study shows that the lowest repulsive state of N₂H leading to the NH and N fragments in their ground electronic states is likely going to cross the N₂H⁺ ionic curve far above its v = 0 vibrational energy level. This study suggests that the DR of N₂H⁺ to give N + NH should not be efficient in the low temperature of the interstellar clouds.