Linear furoxan assemblies incorporating nitrobifuroxan scaffold: En route to new high-performance energetic materials

Chemical Engineering Journal, Год журнала: 2023, Номер 470, С. 144144 - 144144

Опубликована: Июнь 24, 2023

Язык: Английский

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High-energy hydroxytetrazoles: Design, synthesis and performance

Energetic Materials Frontiers, Год журнала: 2021, Номер 2(1), С. 3 - 13

Опубликована: Янв. 14, 2021

In recent years, the development of novel advanced high-energy density materials has significantly shifted toward nitrogen-containing heterocyclic derivatives, which demonstrate a great potential for multipurpose application patterns. Among known heterocycles hydroxytetrazole is special importance due to its high nitrogen-oxygen content and possibility serve as anion counterpart form diverse array organic inorganic energetic salts. this review, we summarized main achievements on synthesis performance hydroxytetrazole-based materials. Potential applications presented compounds their environmental compatibility are especially emphasized.

Язык: Английский

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Pushing the Energy-Sensitivity Balance with High-Performance Bifuroxans

ACS Applied Energy Materials, Год журнала: 2020, Номер 3(8), С. 7764 - 7771

Опубликована: Июль 6, 2020

Several energy-rich bifuroxans incorporating nitro and azido functionalities have been synthesized thoroughly characterized by IR multinuclear NMR spectroscopy, elemental analyses, single-crystal X-ray diffraction, differential scanning calorimetry. N-oxide regiochemistry was employed to design the tunable azido(nitro)bifuroxans with different physicochemical energetic properties. All compounds high enthalpies of formation (449–777 kJ mol–1) attractive performances, as evidenced detonation velocities (8.95–9.75 km s–1) Champan–Jouguet pressures (35–45 GPa). The most powerful material in this series is 4,4′-dinitro-3,3′-bifuroxan. This hydrogen-free molecule (C4N6O8) exhibits an outstanding heat explosion value 15.3 cm–1, far exceeding top hexanitrohexaazaisowurtzitane CL-20. At same time, impact friction sensitivities 4,4′-dinitro-3,3′-bifuroxan were deemed acceptable for practical use. Overall, breaks a general trend called "energy-sensitivity rule", which describes linear increase mechanical sensitivity growth content molecule, and, thus, offers great promise future applications.

Язык: Английский

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Learning to fly: thermochemistry of energetic materials by modified thermogravimetric analysis and highly accurate quantum chemical calculations

Physical Chemistry Chemical Physics, Год журнала: 2021, Номер 23(29), С. 15522 - 15542

Опубликована: Янв. 1, 2021

The solid-state formation enthalpies of 63 CHNO energetic compounds were obtained as complementary combinations the gas-phase thermochemistry from predictive quantum chemical calculations and phase change data advanced thermogravimetry.

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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Azasydnone – novel “green” building block for designing high energetic compounds

Journal of Materials Chemistry A, Год журнала: 2018, Номер 6(38), С. 18669 - 18676

Опубликована: Янв. 1, 2018

The azasydnone unit is a promising explosophoric block for future generations of highly thermostable and dense energetic materials.

Язык: Английский

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Recent advances in the synthesis and functionalization of 1,2,5-oxadiazole 2-oxides

Tetrahedron Letters, Год журнала: 2018, Номер 59(24), С. 2317 - 2326

Опубликована: Апрель 27, 2018

Язык: Английский

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Design and Synthesis of Nitrogen‐Rich Azo‐Bridged Furoxanylazoles as High‐Performance Energetic Materials

Chemistry - A European Journal, Год журнала: 2021, Номер 27(59), С. 14628 - 14637

Опубликована: Июль 29, 2021

A series of novel energetic materials comprising azo-bridged furoxanylazoles enriched with functionalities was designed and synthesized. These high-energy were thoroughly characterized by IR multinuclear NMR (1 H, 13 C, 14 N) spectroscopy, high-resolution mass spectrometry, elemental analysis, differential scanning calorimetry (DSC). The molecular structures representative amino azo oxadiazole assemblies additionally confirmed single-crystal X-ray diffraction powder diffraction. comparison contributions explosophoric moieties into the density revealed that furoxan 1,2,4-oxadiazole rings are densest motifs while substitution azide fragments on nitro ones leads to an increase density. Azo bridged have high nitrogen-oxygen contents (68.8-76.9 %) thermal stability. synthesized compounds exhibit good experimental densities (1.62-1.88 g cm-3 ), very enthalpies formation (846-1720 kJ mol-1 and, as a result, excellent detonation performance (detonation velocities 7.66-9.09 km s-1 pressures 25.0-37.7 GPa). From application perspective, parameters exceed those benchmark explosive RDX, combination acceptable friction sensitivity azo(1,2,4-triazolylfuroxan) make it promising potential alternative PETN.

Язык: Английский

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Enhancement of Energetic Performance through the Construction of Trinitromethyl Substituted β-Bis(1,2,4-oxadiazole)

The Journal of Physical Chemistry Letters, Год журнала: 2022, Номер 13(33), С. 7824 - 7830

Опубликована: Авг. 17, 2022

Halogen-free substitutions of ammonium perchlorate (AP), which meet the requirements high density, performance, and acceptable stability, have been a subject scientific research for many years. In this work, by regrouping atoms in trinitromethyl substituted bis(1,2,4-oxadiazole), novel oxidizer, β-bis(1,2,4-oxadiazole) (3), was designed synthesized. It possesses an improved density (ρ = 2.002 g cm-3 at 170 K, ρ 1.942 298 K) thermal stability (Td 142.8 °C) comparison to its regioisomer 5,5'-bis(trinitromethyl)-3,3'-bi(1,2,4-oxadiazole) (E). The properties 3 were studied both experimental theoretical methods. positive oxygen balance +7.3% specific impulse 250 s also make compound promising candidate energetic oxidizer.

Язык: Английский

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Impact of Positional Isomerism on Melting Point and Stability in New Energetic Melt-Castable Materials

The Journal of Physical Chemistry C, Год журнала: 2023, Номер 127(18), С. 8887 - 8893

Опубликована: Апрель 26, 2023

For an energetic material with a definite composition, the substituent position is most crucial factor to influence its physicochemical properties. Thus, it becoming increasingly important understand impact of positional isomerism on multidimensional properties differences. Herein, we reported two new potential melt-castable molecules, pair isomers (4-MMDNP and 5-MMDNP). These explosives exhibit obviously different properties, including densities (Δρ = 0.03 g cm–3), melting point (ΔTm 47.2 °C), decomposition temperature (ΔTd 27.3 stability (IS 20 J, FS 160 N vs IS 10 40 N), etc., even though they share similar compositions structures. Simultaneously, by analyzing crystal packing, intermolecular interactions, monomolecular parameters, were able uncover roots property Altogether, our results provide comprehensive molecular level insight into effect isomerism, which may be useful for design.

Язык: Английский

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