Nitroimino as an energetic group in designing energetic materials for practical use, a tautomerism from nitroamino

Journal of Materials Chemistry A, Год журнала: 2023, Номер 11(26), С. 13876 - 13888

Опубликована: Янв. 1, 2023

Hydrogen transfer from nitroamino to nitroimino promotes density, energy and safety of energetic materials suggesting excellent application prospects in designing next generation high density materials.

Язык: Английский

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Synthesis and Properties of 1,2,4-Triazol-3-one-Based Energetic Compounds

Crystal Growth & Design, Год журнала: 2022, Номер 23(1), С. 207 - 215

Опубликована: Дек. 21, 2022

1,2,4-Triazol-3-one (TO) is an important nitrogen-rich heterocycle in synthesis chemistry. In the field of energetic materials, some strategies are applied to prepare TO-derived materials. However, none them can be used as a heat-resistant material due their lower decomposition temperatures. this paper, series TO derivatives 4–13 were prepared from 5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid. These compounds fully characterized by using elemental analysis, 1H and 13C NMR spectroscopy, IR MS. The crystal structures fused-ring compound 6 perchlorate 8 further identified single-crystal X-ray diffraction. Most exhibit good thermostability (Td = 166.5–324.5 °C), low sensitivities (impact sensitivity IS ≥ 20 J; friction FS 360 N), detonation performance (Dv 7905–8753 m s–1), positive heats formation (ΔHf 295.9–1121.1 kJ mol–1), except 9 92 °C; 15 240 N). Among these target molecules, with high temperature 324.5 density (ρ 1.859 g cm–3), (IS > 40 decent 8406 s–1; P 29.2 GPa) superior traditional explosive hexanitrostilbene 318 ρ 1.750 cm–3; 5 N; Dv 7612 26.3 insensitive thermostable material.

Язык: Английский

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Energetic Gem-dinitro Salts with Improved Thermal Stability by Incorporating with A Fused Building Block

ACS Applied Materials & Interfaces, Год журнала: 2022, Номер 14(33), С. 37975 - 37981

Опубликована: Авг. 11, 2022

Thermal stability is one of the most significant properties for safety energetic materials, finding a stable skeleton with suitable groups always primary test. In this work, an unusual aminohydrazone cyclization strategy was used in synthesis new series gem-dinitro 1,2,4-triazolo[4,3-b][1,2,4,5]-tetrazine compounds desirable thermal (≥197 °C). All were fully characterized by infrared (IR), NMR, differential scanning calorimetry, single crystal X-ray diffraction, and elemental analysis. The decomposition temperature potassium salt 2 288 °C, reaching level HMX. these performances have demonstrated effective innovatively combining geminal dinitro fused rings.

Язык: Английский

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Facile synthesis of thermally stable tetrazolo[1,5-b][1,2,4]triazine substituted energetic materials: synthesis and characterization

Dalton Transactions, Год журнала: 2022, Номер 52(3), С. 747 - 753

Опубликована: Дек. 13, 2022

Various thermally stable energetic materials with high nitrogen content, low sensitivity and better detonation performance were synthesized. The versatile functionalization of 1,2,4-triazine involving the introduction oxadiazole tetrazole is discussed. All compounds fully characterized using IR, multinuclear NMR spectroscopy, elemental analysis, high-resolution mass spectrometry. Compounds 2, 3, 9 12 further verified single-crystal X-ray analysis. Compound can be considered a melt-cast explosive due to its lower onset melting temperature (112 °C). velocity, pressure, density, heat formation all synthesized range between 7056 8212 m s-1, 17.57 23.78 GPa, 1.70 1.81 g cm-1, 43 644 kJ mol-1, respectively. Due percentage (53 >72%), these molecules used in car airbag applications. thermal stability (>220 °C) sensitivity, potentially as high-performing secondary materials.

Язык: Английский

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Tuning thermal stability and mechanical sensitivity of polynitro compounds via integrating energetic ionic salts

Energetic Materials Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Фев. 1, 2025

Язык: Английский

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Hydrogen-Free Explosive of N-Azo-Bridged 1,2,4-Triazole: A Novel Nitrogen-Chain-Extended Compound with Exceptional Energy Performance

ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown

Опубликована: Апрель 22, 2025

The design of high-energy-density materials (HEDMs) and the investigation energy limits have consistently represented a focal point significant challenge in research. This study prepared hydrogen-free compound, BLG-102, with high nitrogen content (66.6%) using an energetic block based on long chain (N6). BLG-102 has crystal density 1.85 g·cm-3, measured 1.82 g·cm-3. It also achieves zero oxygen balance (based CO), excellent enthalpy formation, good conjugate planarity aromaticity. demonstrates exceptional detonation performance velocity (VD = 9311 m·s-1) pressure (P 38.5 GPa). These values are superior to well-known compound RDX 8991 m·s-1, P 35.2 GPa), comparable HMX 9144 39.2 Nevertheless, exhibits slightly higher but acceptable sensitivity (IS 5 J, FS 54 N). remarkable capabilities laser initiation. Notably, 10 mg charge can effectively detonate 20 RDX, producing pore diameter 11.44 mm lead plate (2 thick). integrated approach concept─combining nitro, azide, structures 1,2,4-triazole framework─significantly enhances compounds. breaks through limit already known 1,2,4-triazole-based compounds provides new idea for synthesis HEDMs performance.

Язык: Английский

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Trinitromethyl- and Nitramino-Substituted Triazolo-Pyridazines: Synthesis and Energetic Performance

Chemical Communications, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

We synthesized a series of ring-fused triazolo-pyridazine energetic compounds with trinitromethyl, nitramine, and hydrazine groups thoroughly characterised them using NMR, IR, mass spectrometry, TGA–DSC analysis.

Язык: Английский

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Crystal Engineering Optimization through CF₃ Functionalization: An Emerging Strategy for High-Density Energetic Materials

Crystal Growth & Design, Год журнала: 2025, Номер unknown

Опубликована: Май 28, 2025

Язык: Английский

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Studies on the Synthesis and Properties of High-Energy Low-Sensitivity Compounds Based on 3-Amino-1,2,4-triazole

Crystal Growth & Design, Год журнала: 2022, Номер 22(7), С. 4221 - 4227

Опубликована: Июнь 9, 2022

Two fused nitrogen-rich energetic compounds 3-nitro-[1,2,4] triazolo [5,1-c] [1,2,4] triazine-4-amine (2) and N-(7-amino-[1,2,4] [1,5-a] [1,3,5] triazine-5-yl)nitramide (4) were prepared by the simple straightforward synthesis from commercially available 3-amino-1,2,4-triazole. The derivatives 5–8 4 to reduce acidity improve detonation performance. All fully characterized elemental, 1H 13C NMR, infrared analysis. molecular structures of 1·3/2H2O, 2, 3·1/2H2O, 4, 5·4/3H2O further determined single-crystal X-ray diffraction. thermal stability sensitivity toward external stimulus for these evaluated differential scanning calorimetry, friction (FS), impact (IS). performance was predicted using EXPLO5 (version 6.02) based on measured density at 298 K calculated heats formation (Gaussian 09). According results, all newly synthesized show high stabilities (>200 °C) low sensitivities towards (IS > 40 J FS 360 N). Among compounds, compound 8 with (Dv = 8784 m s–1 P 30.1 GPa) could be used as a high-energy low-sensitivity explosive.

Язык: Английский

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Synthesis of High-Thermostability and Low-Sensitivity [6,6]-Fused Energetic Compound Based on Benzene and Pyrimidine

Crystal Growth & Design, Год журнала: 2024, Номер 24(3), С. 1350 - 1356

Опубликована: Янв. 10, 2024

Three energetic compounds based on [6,6]-fused heterocyclic skeleton were synthesized in this work and characterized detail. The characterization process involved various analytical techniques such as elemental analysis, NMR spectroscopy (1H, 13C), infrared (IR), well differential scanning calorimetry (DSC) thermogravimetric analysis (TGA). crystal structures of 4-amino-6,8-dinitroquinazolin-2(1H)-one (2), 6,8-dinitroquinazoline-2,4(1H,3H)-dione (3) 6,8-dinitro-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-ide (4) discovered by X-ray diffraction. Among them, compound 3 is superior to 2,2′,4,4′,6,6′-hexanitrostilbene (HNS) (Td = 318 °C; IS 5 J, FS 240 N; Dv 7612 m s–1, P 24.3 GPa) that it has better detonation properties (Dv 8081 25.7 GPa), desirable insensitive qualities (IS > 40 360 N), excellent thermal stability 325 °C). Based these findings, appears have a bright future heat-resistant explosive.

Язык: Английский

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