Co-operation between multidentate ligand and inorganic salts: preparation of solvent-free primary explosives based on 4-amino-1,2,5-oxadiazole-3-carbohydrazide

Chemical Engineering Journal, Год журнала: 2022, Номер 452, С. 139472 - 139472

Опубликована: Сен. 30, 2022

Язык: Английский

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Energetic heterocyclic N-oxides: synthesis and performance

Mendeleev Communications, Год журнала: 2022, Номер 32(6), С. 703 - 713

Опубликована: Ноя. 1, 2022

Язык: Английский

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Thermal stability of azole-rich energetic compounds: their structure, density, enthalpy of formation and energetic properties

Physical Chemistry Chemical Physics, Год журнала: 2023, Номер 25(28), С. 18523 - 18544

Опубликована: Янв. 1, 2023

Increasing the strength and number of hydrogen bonds azoles expanding π–π stacking area are key factors to improve thermal stability, which provides a valuable way for developing energetic materials with higher energy stability.

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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Intramolecular Assembly of Nitrobiazoles and an Ether Bridge: Toward Energetic Materials with Enhanced Energy and Safety

ACS Applied Materials & Interfaces, Год журнала: 2022, Номер 14(47), С. 52951 - 52959

Опубликована: Ноя. 15, 2022

Recently, the construction of novel fused-ring frameworks has become one most significant innovative approaches to access high-energy and thermostable energetic molecules. In this work, an ether bridge was utilized as a building block construct skeletons for first time. Two new [5,7,5]-tricyclic N-heterocycle-based backbones, ditriazole-1,3,6-oxadiazepine pyrazole-triazole-1,3,6-oxadiazepine, were synthesized via straightforward one-step synthetic route performances their derivatives further evaluated. Containing additional oxygen atom, high-density pyrazole-triazole backbone, high crystal packing coefficient, asymmetric molecule 2,10,11-trinitro-5H,7H-pyrazolo[1,5-c][1,2,4]triazolo[5,1-e][1,3,6]oxadiazepine (NOB-3) features density 1.825 g cm-3, much superior those symmetrical analogues 2,10-dinitro-5H,7H-bis([1,2,4]triazolo)[1,5-c:5',1'-e][1,3,6]oxadiazepine (NOB-4, d = 1.758 cm-3) D (d 1.634 cm-3). Meanwhile, compounds NOB-3 NOB-4 exhibit better thermal stability than parent DNBT (Td 251 °C), decomposition temperatures reach up 303 294 °C, respectively. The remarkable overall performance strongly suggests them appropriate candidates heat-resistant explosives. Our study may give insights into close correlation structural properties frameworks, universality heterocycles combination strategy designing advanced materials (HEDMs) emphasized again.

Язык: Английский

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Comparative Study of Trifunctionalization for Enhanced Energy and Thermal Stability in Zwitterionic Fused Triazole Skeletons

Organic Letters, Год журнала: 2025, Номер 27(4), С. 1060 - 1065

Опубликована: Янв. 16, 2025

In this work, two energetic compounds 5-(3-iminio-6-nitro-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2(7H)-yl)tetrazol-1-ide (TT) and 3-nitro-7-(2H-tetrazol-5-yl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-6-amine (FT) were successfully synthesized from the same compound 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazolium (TATOT). Both contain three explosophores, amino, nitro, tetrazole, on fused ring. Through different functional group arrangements, TT possesses higher density good thermal stability. FT exhibits a low sensitivity to mechanical stimulation. show promising performance properties.

Язык: Английский

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Combination of Trinitromethyl Groups and Fused-Ring Skeletons for Construction of High-Energy and Low-Sensitivity Energetic Compounds

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

Опубликована: Фев. 26, 2025

Язык: Английский

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Integration of 1,2,3-Triazine N-Oxide and 2,4,6-Trinitroaniline Moieties for the Design of Heat-Resistant Energetic Compounds

Organic Letters, Год журнала: 2025, Номер unknown

Опубликована: Март 7, 2025

Heat-resistant energetic compounds are of great importance in the field material chemistry. Here, we report a practical synthesis series fused-ring via combination 1,2,3-triazine N-oxide and 2,4,6-trinitroaniline moieties. Starting from known compound 4,6-diamino-2-chloropyrimidine-5-carbonitrile (1), nucleophilic substitution followed by one-step nitration introduced three nitro groups onto benzene ring moiety, simultaneously. The resulting 4-7 exhibited high decomposition temperature (Td > 250 °C) as well relatively good detonation properties low sensitivities.

Язык: Английский

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Combination of Nitropyrazole and Nitroaminotriazole: A Novel High-Energy Insensitive Energetic Material

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

Опубликована: Апрель 28, 2025

Язык: Английский

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Iodine-Mediated Furoxan Formation Facilitates the Synthesis of High-Density Tricyclic Fused Energetic Materials

Crystal Growth & Design, Год журнала: 2022, Номер 23(1), С. 532 - 538

Опубликована: Ноя. 29, 2022

Fused cyclic energetic material, a special category of π-conjugate structures containing two or more rings, has been acknowledged as potential energy source high density in recent years. In the present work, new tricyclic, fused skeleton [1,2,5]oxadiazolo[3,4-d][1,2,4]triazolo[4,3-b]pyridazine-3-oxide was designed and synthesized. Two typical compounds, 4-azido-[1,2,5]oxadiazolo[3,4-d][1,2,4]triazolo[4,3-b]pyridazine-3-oxide 4-amino-[1,2,5]oxadiazolo[3,4-d][1,2,4]triazolo[4,3-b]pyridazine-3-oxide, were synthesized characterized by single-crystal X-ray diffraction, elemental analysis, NMR, IR spectroscopy. Both compounds exhibit densities 1.773 1.939 g·cm–3 for 2 3, respectively. The properties calculated based on heat formation. They possess good detonation performance (Dv: 8664 m·s–1 2, 8817 3; P: 30.9 GPa 32 3). Their impact friction sensitivities tested to be 7 J 108 N >40 128 3. also show satisfactory onset decomposition temperatures (2:183.7 °C; 3:195.3 °C) owing furoxan frameworks. All these indicate that above-mentioned molecules may their prospective application versatile materials devices.

Язык: Английский

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