Energetic Salts Based on a Bicyclic Nitrogen-Rich Compound with Good Molecular Stability

Crystal Growth & Design, Год журнала: 2023, Номер 23(3), С. 1466 - 1476

Опубликована: Фев. 14, 2023

To achieve a balance between detonation properties and molecular stability, series of (1,2,4-oxadiazole)-bridged pyrazole derivatives have been synthesized in this work. The compounds involved were characterized by NMR spectroscopy (1H, 13C), IR spectroscopy, differential scanning calorimetry (DSC), the structures energetic salts further confirmed X-ray single-crystal diffraction. These good thermal stability low sensitivities to impact friction, which are supported calculations very well. In particular, perchlorate 6 with highest decomposition temperature 331.7 °C has better thermostability than other reported salts. addition, their velocity (D) pressure (P) calculated using EXPLO5 be around D = 7712–8693 m s–1 P 24.0–34.2 GPa, respectively, showing potential new candidates.

Язык: Английский

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The use of simple structural parameters of energetic metal-organic frameworks to assess their density

Journal of Solid State Chemistry, Год журнала: 2024, Номер 333, С. 124608 - 124608

Опубликована: Фев. 13, 2024

Язык: Английский

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Low-sensitivity energetic material based on 1,2,4-oxadiazole

FirePhysChem, Год журнала: 2024, Номер unknown

Опубликована: Авг. 1, 2024

In this work, a new series of monocyclic compounds based on 1,2,4-oxadiazol-5(4H)-one was synthesized. The molecular structure, thermal stability and sensitivity to external stimuli for these were characterized by X-ray diffraction analysis, NMR (1H 13C) spectroscopy, IR differential scanning calorimetry (DSC) the standard BAM method. Compound 3-((2,2,2-trinitroethyl) amino)-1,2,4-oxadiazol (3) with trinitromethyl exhibits higher decomposition temperature (Td = 143°C) than that 3-(dinitromethyl)-1,2,4-oxadiazol-5-one (4) 76°C) reported in literature. addition, compound 3 lower impact sensitivities (IS) (IS 10 J) 4, N3-(2,2,2-Trinitroethyl)-1,2,4-oxadiazole-3,5-diamine (5) RDX (4: 6 J; 5: RDX: 7.4 J). Charge distribution Hirshfeld surface calculated make further research intermolecular interaction trinitromethyl. difference is mainly due existence hydrogen bonds. These results indicate has promising application prospects as energetic material.

Язык: Английский

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Preparation of multi-functional type coordination compounds: spanning the quantitative restriction of oxidizing groups

Inorganic Chemistry Frontiers, Год журнала: 2023, Номер 10(5), С. 1475 - 1484

Опубликована: Янв. 1, 2023

Cu(HAMPZCA) 2 (ClO 4 ) ·2H O (ECCs-1) has multi-functional structure of ionic salt and coordination compounds. And it also the good advantages decomposition rate, oxygen balance, mechanical stimulation explosion performance.

Язык: Английский

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Functionalized fused triazole-triazine: Novel multi-nitro compounds with various energetic functionalities

Journal of Molecular Structure, Год журнала: 2023, Номер 1283, С. 135274 - 135274

Опубликована: Март 3, 2023

Язык: Английский

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