A theoretical study of the nitrogen clusters formed from the ions N3−, N5+, and N5−

The results of a theoretical study on the formation of the nitrogen cluster ${\mathrm{N}}_{\mathrm{10}}$ from the ionic species ${\mathrm{N}}_{\mathrm{5}}^{\mathrm{+}}$ and ${\mathrm{N}}_{\mathrm{5}}^{\mathrm{-}}$ are presented. The possibility to form ${\mathrm{N}}_{\mathrm{8}}$ from ${\mathrm{N}}_{\mathrm{5}}^{\mathrm{+}}$ and ${\mathrm{N}}_{\mathrm{3}}^{\mathrm{-}}$ has also been studied but no stable form was found. Structural and vibrational data are given for the different clusters. It is suggested that the anion ${\mathrm{N}}_{\mathrm{5}}^{\mathrm{-}}$ might be stable enough to be synthesized. The calculations have been carried out using multiconfigurational self-consistent-field wave functions and second-order perturbation theory.