Zwitterionic fused pyrazolo-triazole based high performing energetic materials

Kumar, Parasar; Kumar, Navaneet; Ghule, Vikas D.; Dharavath, Srinivas

doi:10.1039/d3cc05920k

Cited by 5 publications

(3 citation statements)

References 33 publications

(45 reference statements)

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“…2 Additionally, they are majorly involved in hydrogen bonding interactions and decompose as environmentally friendly gases. 38,43 They also provide multicoordination sites to construct high-dimensional and compact frameworks. Furthermore, the single crystal structure of the E-MOF exhibited a wave-like 3D framework, and the polycrystalline compound was estimated by powder X-ray diffraction (PXRD) analysis.…”

Section: Introductionmentioning

confidence: 99%

“…To synthesize this, a poly tetrazole containing ligand was used owing to subsequent benefits such as nitrogen-rich tetrazoles implying a high heat of formation and being the main source of energy, having high bond energies (C–N = 273 kJ mol –1 ; N–N = 160 kJ mol –1 ; NN = 418 kJ mol –1 ; and NN = 954 kJ mol –1 ) . Additionally, they are majorly involved in hydrogen bonding interactions and decompose as environmentally friendly gases. , They also provide multicoordination sites to construct high-dimensional and compact frameworks. Furthermore, the single crystal structure of the E-MOF exhibited a wave-like 3D framework, and the polycrystalline compound was estimated by powder X-ray diffraction (PXRD) analysis.…”

Section: Introductionmentioning

confidence: 99%

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Mixed-Metallic Energetic Metal–Organic Framework: New Structure Motif for Potential Heat-Resistant Energetic Materials

Rajak,

Kumar,

Dharavath

2024

Crystal Growth & Design

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The incessant pursuit of heat-resistant explosives with balanced energetic performance and safety is indispensable in civil and military sectors, particularly when employed in harsh environments. Herein, a new nanostructured highly energetic metal−organic framework (E-MOF), based on nickel(II) and sodium(I) mixed-metal has been constructed using an energetic poly tetrazole molecule by the hydrothermal approach. The Na/ Ni-MOF was thoroughly characterized using infrared radiation (IR), thermogravimetric analysis and differential scanning calorimetry, scanning electron microscopy, and powder X-ray diffraction analyses. Further, the crystal structure was authenticated by single crystal X-ray diffraction analysis, and their crystal packing features were well explored, revealing a wave-like 3D framework having a crystal density of 1.985 g cm −3 . This mixed-metallic E-MOF demonstrated a good enthalpy of combustion (−7.91 kJ•g −1 ), a good velocity of detonation (VOD = 7410 m s −1 ) exceeding that of trinitrotoluene (TNT, 6820 m/s) and Hexanitrostilbene (HNS, 7164 m/s), and excellent insensitivity [impact sensitivity (IS) > 40 J and friction sensitivity (FS) > 360 N]. Additionally, it exhibits outstanding thermal stability (T d = 387 °C). These fine-tuned properties are superior to those of continuously used benchmark heat-resistant explosives HNS and 2,4,6-triamino-1,3,5trinitrobenzene, suggesting that the newly reported poly tetrazole-based E-MOF is beneficial for improved physical performance. The results given in the present work highlighted the advantages of the mixed-metallic E-MOF as a potential heat-resistant explosive for future applications.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Mixed-Metallic Energetic Metal–Organic Framework: New Structure Motif for Potential Heat-Resistant Energetic Materials

Rajak,

Kumar,

Dharavath

2024

Crystal Growth & Design

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“… a Onset decomposition temperature under nitrogen gas (DSC, 5 °C/min). b Density measured by Anton Parr Ultrapyc 5000 Micro gas pycnometer (at 25 °C). c Computed heat of formation. d Detonation velocity. e Detonation pressure. f Nitrogen content. g Percentage of nitrogen and oxygen content. h Oxygen balance with respect to CO. i Impact sensitivity. j Friction sensitivity. k Specific impulse. l Ref . m Ref . n Refs and . …”

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confidence: 99%

Single Step Synthesis of gem-Dinitro Methyl-1,2,4-triazole and Its Hydroxylamine Salt: An Alternative to the FOX-7 and Other Benchmark Explosives

Kumar,

Ghule,

Dharavath

2024

Org. Lett.

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gem-Dinitro methyl based high-energy-density material 5-(dinitromethylene)-4,5-dihydro-1H-1,2,4-triazole (2) and its hydroxylamine salt (4) were synthesized for the first time in a single step and characterized. Further, the structure of 2 was confirmed by single-crystal X-ray diffraction (SCXRD) studies. Interestengly, both the compounds show excellent density (> 1.83 g cm-3), detonation velocity (> 8700 m s–1), pressure (> 30 GPa) and are insensitive toward mechanical stimuli such as impact and friction sensitivity. Considering their synthetic fesibility and balanced energetic performance, compounds 2 and 4 show future prospects as potential next-generation energetic materials for the replacenent of many presently used benchmark high energy density materials such as RDX, FOX-7 and highly insensitive H-FOX.

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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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Zwitterionic fused pyrazolo-triazole based high performing energetic materials

Abstract: A series of nitrogen-rich fused energetic materials were synthesized from commercially available inexpensive starting materials and fully characterized using 1H, 13C NMR, IR spectroscopy, elemental analysis, HRMS and DSC. The...

Cited by 5 publications

References 33 publications

Mixed-Metallic Energetic Metal–Organic Framework: New Structure Motif for Potential Heat-Resistant Energetic Materials

Mixed-Metallic Energetic Metal–Organic Framework: New Structure Motif for Potential Heat-Resistant Energetic Materials

Single Step Synthesis of gem-Dinitro Methyl-1,2,4-triazole and Its Hydroxylamine Salt: An Alternative to the FOX-7 and Other Benchmark Explosives

Zwitterionic Energetic Materials: Synthesis, Structural Diversity and Energetic Properties

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