The key to successfully designing high-performance and insensitive energetic compounds for practical applications is through adjusting the molecular organization including both fuel oxidizer. Now a superior hydrogen-free 5/6/5 fused ring material, 1,2,9,10-tetranitrodipyrazolo[1,5-d:5',1'-f][1,2,3,4]tetrazine (6) obtained from 4,4',5,5'-tetranitro-2H,2'H-3,3'-bipyrazole (4) by N-amination N-azo coupling reactions described. structures of 5 6 were confirmed single crystal X-ray diffraction...

Abstract Environmentally acceptable alternatives to toxic lead‐based primary explosives are becoming increasingly important for energetic materials. In this study, potassium 4,4′‐bis(dinitromethyl)‐3,3′‐azofurazanate, comprising two dinitromethyl groups and an azofurazan moiety, was synthesized isolated as a new 3D metal–organic framework (MOF). Several attractive properties, including density of 2.039 g cm −3 , decomposition temperature 229 °C, detonation velocity 8138 m s −1 pressure 30.1...

Two metal-free explosives, tetrazolo[1,5-b]pyridazine-containing molecules [6-azido-8-nitrotetrazolo[1,5-b]pyridazine-7-amine (3at) and 8-nitrotetrazolo[1,5-b]pyridazine-6,7-diamine (6)], were obtained via straightforward two-step synthetic routes from commercially available reagents. Compound 3at displays an excellent detonation performance (Dv = 8746 m s–1 P 31.5 GPa) that is superior to commercial primary explosives such as lead azide diazodinitrophenol (DDNP). 6 has thermal stability,...

Highly energetic 3,4-di(nitramino)furazan (1, DNAF) was synthesized and confirmed structurally by using single-crystal X-ray diffraction. Its highly sensitive nature can be attributed to the shortage of hydrogen-bonding interactions an interactive nitro chain in crystal structure. In order stabilize this structure, a series corresponding nitrogen-rich salts (3-10) has been prepared fully characterized. Among these materials, dihydrazinium 3,4-dinitraminofurazanate (5) exhibits very promising...

Nitrogen-rich heterocyclic compounds offer promising potential backbones for constructing various high energy density compounds. Selective diazotization of 3,5-diamino-4-nitropyrazole (1) with tert-butyl nitrite followed by treatment the sodium salt nitroacetonitrile gives rise to a fused pyrazolotriazine ring (5) surrounded amino and nitro groups. Compound 5, confirmed single-crystal X-ray diffraction, has remarkable thermal decomposition temperature 355 °C, 1.90 g cm–3, low impact friction...

Exploring new energetic derivatives of 1,1-diamino-2,2-dinitroethylene (FOX-7) is still a key aspect in the field materials. However, so far most attention has been focused on modification FOX-7 via different reaction strategies. Now we report design three FOX-7-like compounds (3-5) where one nitro group replaced by nitrogen-rich heterocyclic ring. Each them characterized single-crystal X-ray crystallography. Electronic structures are studied through computational methods comparison with...

A nitrogen-rich energetic salt containing the longest reported nitrogen chain (N11), was obtained by an azo coupling reaction from 1,5-diaminotetrazole. This is first example of between NNH2 diazonium and amine derivative. The product structure confirmed X-ray crystallography, its physical explosive properties were characterized. As a service to our authors readers, this journal provides supporting information supplied authors. Such materials are peer reviewed may be re-organized for online...

Next-generation fused ring energetic materials for different applications were designed by regulating mechanical sensitivity.

Abstract A planar energetic molecule with high density, 5,5′‐dinitramino‐3,3′‐azo‐1,2,4‐oxadiazole ( 4 ), was obtained by the nitration of 5,5′‐diamino‐3,3′‐azo‐1,2,4‐oxadiazole using 100 % nitric acid. In addition, selected nitrogen‐rich salts were prepared. Of them, neutral compound and its hydroxylammonium salt, 6 , further confirmed single‐crystal X‐ray diffraction. Physicochemical properties including thermal stability, sensitivity investigated. The performance from calculated heats...

3-Nitroamino-4-(5-amino-1,3,4-oxadiazol-2-yl)furazan monohydrate (<bold>2</bold>·H₂O), which is a combination of the nitroaminofurazan and 1,3,4-oxadiazole rings, was obtained by nitration 3-amino-4-(5-amino-1,3,4-oxadiazol-2-yl)furazan (<bold>1</bold>) with 100% nitric acid.

Dinitraminobisfuroxans and their salts were synthesized; detonation performances improved with the presence of <italic>N</italic>-oxide functionality making them competitive high energy materials.

A C–C bonded 5,6-fused bicyclic energetic molecule is presented and shows promising properties as a heat-resistant explosive candidate.

Using the triazine ring as stabilizing factor, a series of energy-safety balanced fused compounds were successfully studied. Compounds 1, 7, and 9·H2O further confirmed by single-crystal X-ray diffraction analysis. The detonation performance safety parameters associated with impact friction sensitivities investigated using EXPLO5 (version 6.01) BAM methods, respectively. Based on their good properties high thermal mechanical stabilities, these materials are potentially insensitive explosives.

For an energetic molecule with a definite elemental composition, the substituent type and position are most important factors to influence its detonation performance mechanical sensitivities. In this work, two pairs of FOX-7-like isomers based on (

A facile and efficient radical-mediated C–N bond activation method in a monocyclic pyrazole at room temperature was developed.

Abstract A single nitrogen‐rich heterocyclic ring with many energetic groups is expected to exhibit excellent detonation performance. We report an effective approach for the synthesis of 3‐amino‐5‐nitramino‐1,2,4‐oxadiazole, which has nitramino and amino in same building block. The single‐crystal X‐ray structure shows layered hydrogen‐bonding pairs as well presence a water molecule ensure insensitivity. Through incorporation cation, hydrazinium or hydroxylammonium salts good performance...

Nucleophilic aromatic substitution reactions of <italic>N</italic>-nitro-substituted azoles lead to the formation C–N bonded biheterocyclic energetic compounds.

Triazole links and polynitropyrazole rings give rise to compounds with energetic properties. These materials were fully characterized by NMR infrared spectroscopy, elemental analysis, differential scanning calorimetry (DSC). In addition, the structures of 5 8 confirmed single-crystal X-ray diffraction analysis. Detonation properties, calculated from heats formation experimental densities, thermal stabilities, impact friction sensitivities support potential use these for explosive applications.

A family of 3,3'-bipyrazole-based energetic compounds having C-NO2 /N-NO2 functionalities was synthesized by using various nitrating conditions. These nitro derivatives bipyrazole are significantly more dense and compared to the corresponding nitropyrazole analogues while maintaining desired thermal stability sensitivity. Depending on number nature groups (C-NO2 ), different classes materials, such as green primary explosives, high-performance secondary explosives heat-resistant were...

A highly energetic fused nitrogen-rich anion, 6-nitro-pyrazolo-[3,4-<italic>c</italic>]furazanate 5-oxide, was synthesized by an unusual cyclization reaction.

A straightforward ring closure reaction gave highly thermally stable tricyclic <italic>N</italic>,<italic>N</italic>′-alkylene bridged polynitrobis-azoles.

Enlarging the skeleton containing two heterocyclic five-membered rings can decrease sensitivity in comparison with most highly nitro-functionalized mono nitrogen-rich rings.

The triazole moiety with a high heat of formation and nitrogen content has been investigated for decades in combination other nitrogen-rich heterocyclic rings the field energetic materials. A novel strategy construction both thermally stable mechanically insensitive materials using multi-aminotriazole system is now described. Using this methodology, two series were created on basis duo triazoles, 5-amino-3-(3,4-diamino-1,2,4-triazol-5-yl)-1H-1,2,4-triazole (TT), trio...

A high-nitrogen compound (N10 structure), 1,1′-azobis(5-methyltetrazole) which is relatively stable, was obtained by azo coupling reactions with three different oxidants such as trichloroisocyanuric acid (TCICA), sodium dichloroisocyanurate (SDIC) and tert-butyl hypochlorite (t-BuOCl). In particular, TCICA has been used for the first time to oxidize N–NH2 N–NN–N linkage. The structural elucidation of title made spectral X-ray crystallographic analyses. new N10 linkage containing exhibits...

Energetic derivatives of 4,4′,5,5′-tetranitro-2<italic>H</italic>,2′<italic>H</italic>-3,3′-bipyrazole (TNBP) have been synthesized and show promise as explosives.