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Oxygen-containing Tetrazole Salts of 3-Hydrazino-4-amino-1,2,4-triazole (HATr): Nitrogen-rich Ionic Materials with High Thermal Stability

Wu J.-T., Zhang J.-G., Yin X., Li T., Wu L., Zhang Z.-B.

Central European Journal of Energetic Materials

2017

Vol. 14, no. 1

217--232

Energetic salts of doubly-protonated 3-hydrazino-4-amino-1,2,4-triazole (2-4), and mono-protonated 3-hydrazino-4-amino-1,2,4-triazole (5-7), have been prepared in high yields from the corresponding oxygen-containing tetrazoles by (i) reaction of free acids and neutral 3-hydrazino-4-amino-1,2,4-triazole, or (ii) metathesis reactions of 3-hydrazinium-4-amino-1H-1,2,4-triazolium di-chloride with the silver salts of the corresponding oxygen-containing tetrazoles. All of these energetic salts were fully characterized by single-crystal X-ray diffraction, FT-IR and DSC measurements. All of the structures are dominated by extensive hydrogen bonds due to amino groups, hydrazino groups and oxygen atoms in the molecules. These salts exhibit good thermal stability, especially the salt 3-hydrazinium-4-amino-1H-1,2,4-triazolium 1H,1’H-5,5’-bitetrazole-1,1’-diolate (4), which exhibits a measured onset of decomposition temperature of 237 °C. Quantum chemical calculations, carried out using the Gaussian 03 suite of programs and based on the experimental densities were used to calculate the detonation pressures and velocities of all of the salts.

Preparation, Structure and Kinetic Analysis of the Thermal Behavior of Some Energetic Salts of 3-Hydrazino-4-amino-1,2,4-triazole

Wu J. T., Zhang J. G., Sun M., Yin X., Zhang T. L.

Central European Journal of Energetic Materials

2013

Vol. 10, no. 4

481--493

As a key research objective for low melting explosives and propellants, energetic salts have received worldwide attention. 3-Hydrazino-4-amino-1,2,4triazole (HATr) is an important high-nitrogen compound (73.65% N) with good stability. This paper focuses on the energetic salts which were formed between HATr and picric acid (PA) or 2,4,6-trinitroresorcinol (TNR). Single crystals of HATr·PA and HATr·TNR·H2O were grown and their crystal structures determined at low temperature. They both belong to the monoclinic system, P21/n space group. The thermal characteristics of the two target salts were investigated using DSC and TG-DTG. In addition, the non-isothermal decomposition kinetics, heats of combustion and sensitivity have also been investigated. The detonation pressures (P) and detonation velocities (D) of the salts have been calculated using the K-J equations. The results indicated that both salts have certain potential applications as gunpowder and propellant materials.