Energetic Compounds Based on 4‐Amino‐1, 2, 4‐triazole (ATZ) and Picrate (PA): [Zn(H 2 O) 6 ](PA) 2 ·3H 2 O and [Zn(ATZ) 3 ](PA) 2 ·2.5H 2 O] n

Two energetic compounds, [Zn(H 2 O) 6 ](PA) 2 · 3H 2 O ( 1 ) and [Zn(ATZ) 3 ](PA) 2 · 2.5H 2 O] n ( 2 ), were synthesized based on 4‐amino‐1,2,4‐triazole (ATZ) and picrate (PA), and characterized by elemental analysis and Fourier transform infrared (FT‐IR) spectroscopy. The crystallographic data showed that the crystals of 1 and 2 belong to the monoclinic space group P 2 1 / n and the triclinic space group P 1̄ , respectively. Furthermore, the Zn II cations are six‐coordinated with six oxygen atoms from crystal water molecules for 1 and six nitrogen atoms from ATZ for 2 , and exhibit distorted octahedral configurations. Thermal decomposition mechanisms were determined based on differential scanning calorimeter (DSC) curve corresponding to thermogravimetry‐derivative thermogravimetry (TG‐DTG) curves and kinetic parameters of the first exothermic process were studied by using Kissinger's and Ozawa's method. The energies of the impact sensitivities were 27.8 J for 2 and far greater than 29.4 J for 1 . In addition, the experiment found the heats of combustion were –6.53 MJ · kg –1 for 1 and –11.33 MJ · kg –1 for 2 by oxygen bomb calorimeter. Therefore, compound 2 can improve the explosion performance and can maybe regarded as the less toxicity energy additive for the explosives and propellant formulations.