Time for mixing: Mixed dicationic energetic salts based on methylene bridged 4-hydroxy-3,5-dinitropyrazole and tetrazole for tunable performance

Bhatia, Prachi; Ghule, Vikas D.; Kumar, Dheeraj

doi:10.1016/j.enmf.2024.05.001

Cited by 7 publications

(1 citation statement)

References 40 publications

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“…Therefore, improvement in the properties of energetic materials can be attained by targeting these intrinsic properties. − Numerous studies on crystal engineering of energetic materials have been carried out for traditional molecules, including single-component molecular and ionic crystals. These studies indicate that the energy-safety contradiction among energetic molecules can primarily be alleviated through three factors: high molecular stability, intermolecular interactions, and face-to-face π-stacking (layered stacking). − One such instance of a single-component molecular crystal is TATB (2,4,6-triamino-1,3,5-trinitrobenzene), characterized by its planar structure and stable alternating C–NO 2 and C–NH 2 bonds. These features facilitate intermolecular interactions and face-to-face π-stacking, resulting in excellent molecular stability and energetic properties. ,− Compared to single-component molecular crystals, energetic ionic crystals possess several advantages, such as electrostatic interactions and higher energies of ionic lattices, leading to good density and enhanced molecular stability. , …”

Section: Introductionmentioning

confidence: 99%

Insights into Structural and Energetic Features of 3,5-Dinitropyrazole-4-carboxylic Acid and Its Energetic Salts

Pandey,

Das,

Bhatia

et al. 2024

Crystal Growth & Design

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The dominance of nitro pyrazole-based explosives in the recently reported high-performing energetic materials motivated us to comprehensively investigate the energy−stability correlation among different compounds based on 3,5-dinitro pyrazoles employing various computational methods. We also explored the energetic and physicochemical properties of the overlooked 3,5-dinitro pyrazole-based compound 3,5-dinitropyrazole-4-carboxylic acid (CDNP). This study revealed that CDNP exhibits the highest thermal stability among 4-substituted-3,5dinitropyrazoles, combined with an acceptable energetic performance. These characteristics are attributed to its layered packing, strong intermolecular interactions, and the stability of its carbonyl bonds. Furthermore, the dicationic energetic salt formation of CDNP further allowed us to fine-tune the overall performance and stability. The dihydroxylammonium salt (5) of CDNP shows the best energetic performance, comparable to well-known traditional explosive TATB, with good thermal stability and low sensitivity toward impact and friction.

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Section: Introductionmentioning

confidence: 99%

Insights into Structural and Energetic Features of 3,5-Dinitropyrazole-4-carboxylic Acid and Its Energetic Salts

Pandey,

Das,

Bhatia

et al. 2024

Crystal Growth & Design

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Zwitterionic Energetic Materials: Synthesis, Structural Diversity and Energetic Properties

Bhatia,

Pandey,

Kumar

2024

Chemistry An Asian Journal

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Zwitterionic compounds are an emergent class of energetic materials and have gained synthetic interest of many in the recent years. Due to their better packing efficiencies and strong inter/intramolecular electrostatic interactions, they often ensue superior energetic properties than their salt analogues. A systematic review from the perspective of design, synthesis, and physicochemical properties evaluation of the zwitterionic energetic materials is presented. Depending on the parent ring(s) used for the synthesis and the type of moieties bearing positive and negative charges, different classes of energetic materials, such as primary explosives, secondary explosives, heat resistant explosives, oxidizers, etc., may result. The properties of some of the energetic zwitterionic compounds are also compared with analogous energetic salts. This review will encourage readers to explore the possibility of designing new zwitterionic energetic materials.

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Energetic Methylene‐Bridged Furoxan‐Triazole/Tetrazole Hybrids

Shaferov,

Ananyev,

Monogarov

et al. 2024

ChemPlusChem

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Design and synthesis of new energetic materials retains its urgency in chemistry and materials science. Herein, rational construction and regioselective synthesis of a series of energetic compounds comprising of a methylene‐bridged combination of 1,2,5‐oxadiazole and nitrogen‐rich azoles (1,2,4‐triazole and tetrazole) enriched with additional explosophoric functionalities (nitro and azo moieties) is presented. All target materials were thoroughly characterized using IR and multinuclear NMR (1H, 13C, 14N, 15N) NMR spectroscopy, high‐resolution mass spectrometry, X‐ray diffraction, and differential scanning calorimetry. All synthesized energetic substances showed good thermal stability (up to 239 °C) and low mechanical sensitivity, while their performance reached or exceeded the level of TNT.

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Time for mixing: Mixed dicationic energetic salts based on methylene bridged 4-hydroxy-3,5-dinitropyrazole and tetrazole for tunable performance

Cited by 7 publications

References 40 publications

Insights into Structural and Energetic Features of 3,5-Dinitropyrazole-4-carboxylic Acid and Its Energetic Salts

Insights into Structural and Energetic Features of 3,5-Dinitropyrazole-4-carboxylic Acid and Its Energetic Salts

Zwitterionic Energetic Materials: Synthesis, Structural Diversity and Energetic Properties

Energetic Methylene‐Bridged Furoxan‐Triazole/Tetrazole Hybrids

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