C₈N₁₂O₈: A Promising Insensitive High-Energy-Density Material

Crystal Growth & Design, Год журнала: 2018, Номер 18(10), С. 6150 - 6154

Опубликована: Сен. 11, 2018

It is desirable to consider crystal engineering in the research of energetic materials. Herein, we report synthesis, structure, and properties a promising explosive, 1,2-bis(3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl)diazene (5). Based on single-crystal diffraction data, 5 nearly coplanar features face-to-face wavelike stackings, thereby exhibiting an excellent density 1.92 g cm–3. Meanwhile, enthalpy as high 962.4 kJ/mol owing its extensive high-energy N–N, C–N, N–O bonds. Compound featuring such characteristic demonstrates thermal stability (Td = 256 °C), good mechanical sensitivity (IS, 18 J; FS, 220 N), superior detonation performance (D, 9240 m s–1; P, 37.5 GPa). The combination advanced security make it potential replacement for commonly used explosives RDX HMX.

Язык: Английский

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Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity

Dalton Transactions, Год журнала: 2018, Номер 47(41), С. 14483 - 14490

Опубликована: Янв. 1, 2018

Using a simple and efficient approach, series of fused triazolo-triazine compounds, namely, 2,5-dinitramide-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazine (2) its energetic salts (4-9, 11-13), were prepared by nitration 2,5,7-triamine [1,2,4]triazolo[1,5-a][1,3,5]triazine (1) with 100% nitric acid, followed reacting the corresponding bases. All new compounds comprehensively characterized. Structures 2 4 further confirmed single crystal X-ray diffraction. Based on measured densities calculated heats formation (Gaussian 09), detonation pressures velocities evaluated EXPLO5, falling in range 21.5-34.2 GPa 7823-9313 m s-1, respectively. Notably, impact friction tests show that these are very insensitive (IS > 40 J; FS 360 N). Moreover, two representative 5 6 high decomposition temperature (5: 194 °C; 6: 199 °C), excellent properties (vD = 9313, 9088 s-1; P 33.9, 34.1 GPa) as well rarely low sensitivities N) promising candidates high-energy explosives.

Язык: Английский

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Azo1,3,4-oxadiazole as a Novel Building Block to Design High-Performance Energetic Materials

Crystal Growth & Design, Год журнала: 2019, Номер 19(2), С. 839 - 844

Опубликована: Янв. 4, 2019

In this study, the azo1,3,4-oxadiazole energetic fragment was first introduced into materials using a simple synthetic strategy, yielding two symmetrical covalent compounds 4 and 5. All new (3–5) were well-characterized by IR spectroscopy, NMR thermal analysis, single-crystal X-ray diffraction analysis. As supported differenctial scanning calorimetry data, 5 possess excellent decomposition temperatures as high 248 278 °C, respectively. To best of our knowledge, °C ranks highest in all 1,3,4-oxadiazole-based compounds. Their performances evaluated with EXPLO5. Both show good detonation velocities (D) 8409 8800 m s–1 pressures (P) 29.3 35.1 GPa, comparable to RDX (D: 8795 s–1, P: 34.9 GPa). Furthermore, on basis quantum-chemical calculations employed better understand their intrinsic structure–property relationship. these positive results indicate superior potential backbone for designing next generation materials.

Язык: Английский

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Nitrogen-rich tricyclic-based energetic materials

Materials Chemistry Frontiers, Год журнала: 2021, Номер 5(19), С. 7108 - 7118

Опубликована: Янв. 1, 2021

A systematic introduction to the developments in heterocyclic high energy density materials (HEDMs) with various explosive units form of tricyclic-based oxadiazole.

Язык: Английский

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Can a heavy trinitromethyl group always result in a higher density?

Chemical Communications, Год журнала: 2023, Номер 59(14), С. 1939 - 1942

Опубликована: Янв. 1, 2023

The first case of a decrease in density with the introduction trinitromethyl group.

Язык: Английский

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Synthesis and Characterization of Azido-Functionalized 1,2,3-Triazole and Fused 1,2,3-Triazole

The Journal of Organic Chemistry, Год журнала: 2023, Номер 88(7), С. 4301 - 4308

Опубликована: Март 10, 2023

Here, we report the nitration of NH on 1,2,3-triazole ring and synthesis several nitrogen-rich energetic compounds based key intermediate 4-azido-5-(chlorodinitromethyl)-2-nitro-2H-1,2,3-triazole (5). Starting from 4-amino-1H-1,2,3-triazole-5-carbonitrile (1), successfully constructed compound 5 through four steps. Subsequently, dechlorination gave potassium 4-azido-5-(dinitromethyl)-2H-1,2,3-triazole (6) (IS = 1 J, vD 8802 m s-1). Additionally, diammonium (8) dihydrazinium (9) salts were also synthesized characterized. A novel fused heterocycle, namely, 6H-[1,2,3]triazolo[4,5-d][1,2,3] triazine-6,7-diamine (10), was surprisingly obtained, which has a high nitrogen content 73.66% shows good thermal stability (Tdec 203 °C) insensitivity to mechanical stimuli, while detonation velocity (vD) pressure (P) reach 8421 s-1 26.0 GPa, respectively.

Язык: Английский

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Green Synthetic Approach for High-Performance Energetic Nitramino Azoles

Organic Letters, Год журнала: 2019, Номер 21(8), С. 2610 - 2614

Опубликована: Март 27, 2019

A mild and efficient strategy for the nitration of amino-substituted pyrazoles/triazole employing a mixture potassium nitrate concentrated sulfuric acid (KNO3/H2SO4) as nitrating reagent proceeded smoothly to give nitramino-substituted products. These were treated with corresponding bases energetic salts 1–10. The compounds fully characterized, single crystal X-ray diffraction studies obtained 1, 4, 6, 10. physical properties detonation performance measured or calculated. Salts 2, 8, 9 exhibited excellent acceptable sensitivities well good stabilities, which suggested that they have potential be useful high-performance explosives.

Язык: Английский

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Novel strategies for synthesizing energetic materials based on BTO with improved performances

Dalton Transactions, Год журнала: 2019, Номер 48(31), С. 11848 - 11854

Опубликована: Янв. 1, 2019

The layer-by-layer assembly of molecules is ubiquitous in nature. Highly ordered structures formed this manner often exhibit fascinating material properties. A layer hydrogen bonding pairing approach allows the development tunable energetic materials with targeted series unusual compounds based on 1H,1'H-5,5'-bistetrazole-1,1'-diolate (1), such as salts 3-amino-1,2,4-triazolium (2), aminoguanidinium (3), and hydrazinium (4), cocrystals 4-amino-1H-pyrazole (5), 2-methylimidazole (6), imidazole (7), were synthesized using strategy. obtained products 2-7 fully characterized by elemental analysis, IR spectroscopy, 1H NMR 13C single-crystal X-ray analysis. Their thermal decomposition behavior was studied differential scanning calorimetry thermogravimetry. mechanical sensitivities detonation performances also analyzed detail. Results show that higher density, better performances, more excellent than those same species cation previously reported.

Язык: Английский

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Photoactuators based on the dynamic molecular crystals of naphthalene acrylic acids driven by stereospecific [2+2] cycloaddition reactions

Journal of Materials Chemistry C, Год журнала: 2020, Номер 8(9), С. 3165 - 3175

Опубликована: Янв. 1, 2020

The photomechanical effects of the dynamic molecular crystals halogen-substituted naphthalene acrylic acids (1FNaAA, 1ClNaAA, 1BrNaAA, 1INaAA and 6BrNaAA) have been investigated.

Язык: Английский

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Intramolecular integration of pyrazole-triazine-triazole heterocyclic skeletons: A novel 5/6/5 fused energetic framework with high energy and low sensitivity

Chemical Engineering Journal, Год журнала: 2022, Номер 451, С. 138640 - 138640

Опубликована: Авг. 18, 2022

Язык: Английский

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