DFT Investigation of the Tri(amino)amine N(NH[sub 2])[sub 3][sup 2+] and the Tri(azido)amine N(N[sub 3])[sub 3][sup 2+] Dications and Related Mixed Amino(azido)ammonium Ions (N[sub 3])[sub x]N(NH[sub 2][sub 4−][sup +] (x = 0−4)¹.

Examines the density functional theory of chemical compounds. Stabilization of tri(amino)amine dication with high kinetic barrier for deprotonation; Calculation on the energetics related to mixed amino(azido)ammonium ions; Stability of thermodynamic interaction.