Synthesis of Advanced Pyrazole and N–N-Bridged Bistriazole-Based Secondary High-Energy Materials

Highly Dense N–N-Bridged Dinitramino Bistriazole-Based 3D Metal–Organic Frameworks with Balanced Outstanding Energetic Performance

“…Using Olex2, 47 the structure was solved with the olex2.solve 48 structure solution program using charge flipping and refined with the SHELXL 49 (1,2,4-triazole)]-3,3′-diyl)dinitramide (H 2 BDNBT) was prepared according to the literature procedure. 42 Further, H 2 BDNBT (256 mg, 1 mmol) was dispersed in 10 mL of water, and 2.2 equiv of potassium hydroxide (KOH) at room temperature was added; the reaction mixture stirred for 1 h to obtain a clear solution. After that, the reaction mixture was heated at 100 °C for 12 h under an oven and cooled down to room temperature.…”

“…A dinitraminobased N−N bonded H 2 BDNBT ligand was particularly chosen due to its high nitrogen and oxygen content (∼80%). 42 Additionally, this compound has a multicoordination capability, which offers a high dimensional framework and is forecast to involve many nonbonded interactions. Nontoxic sodium and potassium demonstrate a high coordination number, resulting in high thermal stability.…”

“…Keeping all that in mind, in this work, we have shown the feasible, cost-effective synthetic approach for the synthesis of [K 2 BDNBT] n (K-MOF) and [Na 2 BDNBT] n (Na-MOF) through a hydrothermal approach to obtain a solvent-free structure, featuring 3D tightly packed frameworks with crystal densities of 2.16 and 2.14 g cm –3 , respectively. A dinitramino-based N–N bonded H 2 BDNBT ligand was particularly chosen due to its high nitrogen and oxygen content (∼80%) . Additionally, this compound has a multicoordination capability, which offers a high dimensional framework and is forecast to involve many nonbonded interactions.…”

Zwitterionic fused pyrazolo-triazole based high performing energetic materials

“…Finding an energetic material with various characteristics and attributes for use in practical applications is still a long-standing issue, including better thermal stability, good insensitivity, inexpensive starting materials, and an easy preparation method without hazardous substances in its production. 24–32 Considering these drawbacks, herein, for the first time we report the synthesis of hydrazine-substituted fused pyrazolo-triazole compound 3-amino-6-hydrazineyl-7-nitropyrazolo[5,1- c ][1,2,4]triazol-2-ium-5-ide ( 2 ) and its energetic salts ( 3–5 ). All the new compounds were fully characterized using 1 H and 13 C NMR, Infrared, and TGA-DSC studies.…”

“…To make compound 3,5-dihydrazineyl-4-nitro-1 H -pyrazole ( 1 ) 32 commercially available, the starting material 4,6-dichloro-5-nitropyrimidine ( SM ) was taken and reacted with hydrazine hydrate at 120 °C for 4 hours, which was further cyclized using cyanogen bromide in an acidic medium at ambient temperature to get 3-amino-6-hydrazineyl-7-nitropyrazolo[5,1- c ][1,2,4]triazol-2-ium-5-ide ( 2 ) in 86% yield. Interestingly, this compound was isolated in zwitterionic form.…”