Two nitrogen-rich energetic materials based on 1-amino-2-nitroguanidine were synthesized. The thermal behavior, thermodynamic properties, electron structures and detonation properties were investigated. The dynamic (DSC) curves show that 1-amino-2-nitroguanidinium 2,4,5-trinitroimidazole (salt 1) can be used as cast explosives. These curves allow determination of their melting points and thermodynamic parameters such as activation energy (Ek, salt 1, 282.1 kJ mol–1; alt 2, 116.2 kJ mol–1; Eo, salt 1, 275.0 kJ mol–1; salt 2, 116.9 kJ mol–1), entropy of activation (ΔS≠, salt 1, 395.7 J mol–1 K–1; salt 2, 5.8 J mol–1 K–1), enthalpy of activation (ΔH≠, salt 1, 278.7 kJ mol‑1; salt 2, 113.1 kJ mol–1), free energy of activation (ΔG≠, salt 1, 117.6 kJ mol–1; salt 2, 110.9 kJ mol–1), heat of formation (∆Hf 0, salt 1, 264.7 kJ mol–1; salt 2, 487.6 kJ mol–1) and critical temperature of thermal explosion (Tb, salt 1, 412.3 K; salt 2, 388.9 K), suggesting that the synthesized salts are safe enough during storage or usage. In view of the detonation pressure (P, salt 1, 30.2 GPa; salt 2, 29.1 GPa) and detonation velocity (D, salt 1, 8398 m s–1; salt 2, 8334 m s–1), it is predicted that both 1-amino-2-nitroguanidine-based salts have the potential to be the useful energetic materials.
1-amino-2-nitroguanidine; energetic salts; thermodynamic properties; electronic structure; detonation properties