3,4-Bis(1H-5-tetrazolyl)furoxan (H(2)BTF, 2) and its monoanionic salts that contain nitrogen-rich cations were readily synthesized and fully characterized by multinuclear NMR ((1)H, (13)C) and IR spectroscopy, differential scanning calorimetry (DSC), and elemental analyses. Hydrazinium (3) and 4-amino-1,2,4-triazolium (7) salts crystallized in the monoclinic space group P2(1)/n and have calculated densities of 1.820 and 1.764 g cm(-3), respectively. The densities of the energetic salts range between 1.63 and 1.79 g cm(-3), as measured by a gas pycnometer. Detonation pressures and detonation velocities were calculated to be 23.1-32.5 GPa and 7740-8790 m s(-1), respectively.

Nitrogen‐rich 3, 4‐bis(1H‐tetrazol‐5‐yl)furoxan (H2BTF, 2) and its energetic salts with excellent thermal stability were successfully synthesized and fully characterized by 1H, and 13C NMR, and IR spectroscopy, differential scanning calorimetry (DSC), and elemental analyses. Additionally, the structures of barium (3) and 1‐methyl‐3, 4, 5‐triamino‐triazolium (10) salts were confirmed by single‐crystal X‐ray diffraction. The densities of the energetic salts paired with organic cations range between 1.56 and 1.85 g·cm–3 as measured by a gas pycnometer. Based on the measured densities and calculated heats of formation, the detonation pressures and velocities are calculated to be in the range 23.4–32.0 GPa and 7939–8915 m·s–1, which make them competitive energetic materials.

New polynitro-substituted bispyrazoles were synthesised and fully characterised in this study. Ammonium 4-(4 0 -amino-3 0 ,5 0 -dinitro-1 0 -pyrazol)-3,5-dinitropyrazole (3), 4-(4 0 -amino-3 0 ,5 0 -dinitro-1 0 -pyrazol)-1-amino-3,-5-initropyrazole (6), diaminoguanidinium 4-(4 0 -amino-3 0 ,5 0 -dinitro-1 0 -pyrazol)-3,5-dinitropyrazole (9), and 3,4,5-triamino-1,2,4-triazolium 4-(4 0 -amino-3 0 ,5 0 -dinitro-1 0 -pyrazol)-3,5-dinitropyrazole (12) were further confirmed using single-crystal X-ray diffraction. The compounds exhibited excellent thermal stabilities, insensitivities and high detonation performance. The measured LC 50 of the compounds suggested that their toxicities were lower than that of TNT and that for compound 3 even lower than that of TATB.Compound 5 demonstrates unprecedented overall performance: higher detonation velocity (V D ¼ 8760-8981 m s À1 ), detonation heat (Q v ¼ 7551 kJ kg À1 ) and explosive power (A ¼ 1712 kJ g À1 ) than RDX, a decomposition temperature (T d ¼ 297 C) higher than that of HMX, and much lower toxicity (LC 50 ¼ 7 mg mL À1 ) than that of TNT, ranking it in a new generation of heat resistant, less sensitive and low environmental impact high energetic materials.

A series of new energetic salts based on 4-nitro-3-(5-tetrazole)furoxan (HTNF) has been synthesized. All of the salts have been fully characterized by nuclear magnetic resonance ((1)H and (13)C), infrared (IR) spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). The crystal structures of neutral HTNF (3) and its ammonium (4) and N-carbamoylguanidinium salts (9) have been determined by single-crystal X-ray diffraction analysis. The densities of 3 and its nine salts were found to range from 1.63 to 1.84 g cm(-3). Impact sensitivities have been determined by hammer tests, and the results ranged from 2 J (very sensitive) to >40 J (insensitive). Theoretical performance calculations (Gaussian 03 and EXPLO 5.05) provided detonation pressures and velocities for the ionic compounds 4-12 in the ranges 25.5-36.2 GPa and 7934-8919 m s(-1), respectively, which make them competitive energetic materials.

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