New form of high energy primary explosive: Dual structure composed of ionic salt-based coordination polymers

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 457, P. 141267 - 141267

Published: Jan. 2, 2023

Language: Английский

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Balancing the Energy and Sensitivity of Primary Explosives: Using Isomers to Prepare Energetic Coordination Compounds

Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 23, 2025

The performance of energetic coordination compounds (ECCs) is influenced by their components and structure. Modifying the chemical structure ligands can balance detonation sensitivity. This study introduced Cu(3-PZCA)2(ClO4)2 (ECCs-1) Cu(2-IZCA)2(ClO4)2 (ECCs-2), using 3-PZCA 2-IZCA as ligands. ECCs-2, with a higher symmetry fewer nitrogen chains, showed highest thermal decomposition temperature (225 °C). Both ECCs displayed high mechanical sensitivity, ECCs-2 being slightly less sensitive (IS = 3 J, FS 8 N). They shared similar properties ignition capabilities, ECCs-1 having velocity (7.1 km·s-1) pressure (23.5 GPa). Initiation tests confirmed excellent DDT. theoretical mechanism suggests free radical reaction, explaining consistent ignition, initiation capabilities. A "SP–DM–DSC–MS–DA" structure–property relationship was established, providing foundation for studying Cu(ClO4)2-ECCs isomers.

Language: Английский

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Energetic Coordination Polymers Based on Copper Furazans and 1,2,3-Triazoles: Tuning the Oxygen Balance with Nitramino Functionalities

Crystal Growth & Design, Journal Year: 2023, Volume and Issue: 23(5), P. 3595 - 3602

Published: March 28, 2023

Four novel energetic complexes comprising furazan/nitramino groups were synthesized through a simple hydrothermal method. Owing to the introduction of an oxygen-containing nitramino group, Cu(DNAF)(NH3)3 (ECP-1), Cu(DNAF)(H2O)3 (ECP-2), Cu(ANFZ)2(H2O)5 (ECP-3), and Cu2(TA)2(H2O)6 (ECP-4) (DNAF = 4,5-dinitraminofurazan, ANFZ 4-amino-3-nitraminofurazan, TA 5-nitro-4-nitramino-1,2,3-triazole) possess relatively high oxygen contents balance, indicating efficient energy release during self-sustained redox process. In addition, these coordination polymers (ECPs) exceptional crystal density insensitivity external stimuli. Compared reported previously, balance nitrogen atoms ECP-1–ECP-4 remain at higher level (OB > −20%, N+O% 60%), ECP-2 ECP-4 have excellent positive (10.5% 5.5%, respectively), has highest (2.22 g/cm3) among four polymers.

Language: Английский

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Study on Primary Explosive: Cu(ClO₄)₂-Based Energetic Coordination Compounds as a Template

Crystal Growth & Design, Journal Year: 2023, Volume and Issue: 23(8), P. 5528 - 5534

Published: June 27, 2023

In order to study the design and preparation of new coordination primary explosive, influence ligand on performance was explored. Using low-energy, low-nitrogen pyrrole as skeleton hydrazide group target, 1H-pyrrole-2-carbohydrazide (PRCA) designed, two ECCs [Cu(PRCA)2(H2O)(ClO4)]ClO4·C2H5OH (ECCs-1·C2H5OH) [Cu(PRCA)2(H2O)(ClO4)]ClO4·2H2O (ECCs-1·2H2O) were prepared, [Cu(PRCA)2(H2O)(ClO4)]ClO4 (ECCs-1) obtained by a simple drying method. The structure target compound confirmed single-crystal X-ray diffraction, infrared (IR), elemental analysis (EA) characterization. Physicochemical tests show that ECCs-1 has better thermal stability (Td = 219 °C) is more sensitive impact sensitivity (IS 7 J) friction (FS 16 N). detonation prediction results velocity pressure are not high (DEXPLO 5 6.2 km s–1, PEXPLO 16.2 GPa). However, an extremely strong ability.

Language: Английский

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Regulating the Coordination Environment by Using Isomeric Ligands: Enhancing the Energy and Sensitivity of Energetic Coordination Compounds

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(42), P. 17417 - 17424

Published: Oct. 12, 2023

Transforming the energy storage structure is an effective approach to achieve a balance between detonation performance and sensitivity of energetic compounds, with goal high low sensitivity. Building upon previous work, this study employed isomeric compound 1H-pyrazole-3-carbohydrazide (3-PZCA) as ligand creatively designed coordination (ECC) Ag(3-HPZCA)2(ClO4)3 (ECC-1). It novel material dual ionic salts which represents first report such in Ag(I)-based ECCs. With its unique structures, ECC-1 exhibits larger [ClO4-] content, higher oxygen constant (OB = 0%), superior mechanical (IS 13 J FS 40 N). Theoretical calculations indicate that has compared work. Furthermore, explosive experiment testing results demonstrate it can be ignited by lower-threshold lasers possesses excellent initiation capability power, making suitable not only primary but also secondary explosive.

Language: Английский

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Novel Heat-Resistant Energetic Compounds Based on the Pyrazole–Triazole Backbone with Functional Groups

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(8), P. 3160 - 3169

Published: April 6, 2024

Developing heat-resistant explosives with excellent comprehensive performance is currently a significant challenge. Herein, series of new energetic compounds based on pyrazole and triazole were designed synthesized. Their structures characterized by nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FT-IR), elemental analysis (EA), mass spectrometry (MS), the four ion salts also confirmed single-crystal X-ray diffraction. In light crystal data, theoretical calculations including Hirshfeld surfaces, two-dimensional (2D) fingerprint, interaction region indicator used to explain relationship between their structure, stability, safety studying intermolecular hydrogen bonding stacking methods. thermal behavior detonation have been systematically studied. NBDAT its exhibit density ranging from 1.772 1.901 g cm–3 velocity pressure 8234 8812 m s–1 27.0 31.4 GPa, respectively. Among them, neutral has an 1.851 cm–3, decomposition temperature 354.5 °C, superior performances D = s–1, P 30.5 low sensitivity IS 40 J, FS 360 N, making it promising candidate replace 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) hexanitrostilbene (HNS) as explosives.

Language: Английский

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Exploring Green Pyrotechnic Formulations and Primary Explosives with 1,3,4‐Oxadiazole‐Based Micro and Submicron Energetic Coordination Polymers

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 29, 2025

Abstract Alkali and alkaline‐earth metal incorporated 5,5′‐dinitramino‐3,3′‐azo‐1,3,4‐oxadiazole (H 2 DNAO) based Energetic Coordination Polymers (ECPs), namely dipotassium 5,5′‐dinitramino‐3,3′‐azo‐1,3,4‐oxadiazole(K DNAO), dicesium 5,5′‐dinitramino‐3,3′‐azo‐1,3,4‐oxadiazole(Cs barium 5,5′‐dinitramino‐3,3′‐azo‐1,3,4‐oxadiazole(BaDNAO) are synthesized for the first time. Synthesized ECPs thoroughly characterized using infrared spectroscopy (IR), elemental analysis (EA), thermogravimetric differential scanning calorimetry (TGA‐DSC), field emission electron microscopy (FE‐SEM), dynamic light scattering (DLS), UV–vis spectroscopy. All also confirmed by single‐crystal X‐ray diffraction technique (SC‐XRD). The micro‐ECPs exhibit excellent densities (1.98–2.80 g cm −3 ), insensitivities (IS: 25‐40 J; FS: 240‐360 N), good thermal stabilities ( T d : 182–212 °C). K DNAO Cs show detonation performance (VOD:7460‐7893 m s −1 ; DP: 27.5‐30.6 GPa), respectively. To further investigate sub‐micron‐energetics, three sub‐micron prepared from their micro counterparts ultrasonication method, demonstrating significant improvement in stability 194–221 °C) but highly sensitivity 2‐15J; 40‐360N). Burning tests of two experimental formulations demonstrate potential green pyrotechnic applications. Interestingly, submicron‐counterparts remarkable initiating capability. Considering ease synthesis, safety profile, these materials can be effectively transported microform rapidly converted into submicron‐form on demand, making them suitable

Language: Английский

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Metal Salts of 4-Chloro-3,5-dinitropyrazole for Promising Eco-Friendly Primary Colors Pyrotechnics

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(36), P. 14559 - 14567

Published: Aug. 30, 2023

The construction and design of pyrotechnics with superior performance is not only a task great significance but also tremendous challenge. In this regard, we present the syntheses novel green primary colors (red, green, blue light-generating pyrotechnics) by employing 4-chloro-3,5-dinitropyrazole (CDNP) as multifunctional raw material. CDNP contains flame enhancer, oxygen-rich functional group, nitrogen heterocyclic combustibles, which contribute to high pyrotechnics. characteristic elements (strontium, barium, copper) that impart color are combined synthesize an "all-in-one" strategy. structures three energetic metal salts (EMS-1, EMS-2, EMS-3) completely characterized, their thermal stability, sensitivity, ignition performance, purity systematically evaluated. All EMSs show excellent stability low mechanical sensitivities (>330 °C, >40 J, >360 N). Moreover, demonstrate successful combustion under laser conditions roasting test conditions, producing bright flames. Chromaticity analysis reveals possess good purities 91, 80, 70%, respectively. Consequently, integrated exhibit exceptional properties, highlighting potential for use in various pyrotechnic applications.

Language: Английский

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Lithium-Promoted Formation of M-2AZTO-Li (M = N₂H₅⁺ or NH₃OH⁺ and AZTO = Anion of 1-Hydroxytetrazole-5-hydrazide)-Type “Quaternary” Complexes with Nitrogen-Rich Characteristics: Construction of Novel Insensitive Energetic Materials

ACS Applied Materials & Interfaces, Journal Year: 2022, Volume and Issue: 15(1), P. 1601 - 1609

Published: Dec. 21, 2022

Lithium-based nitrogen-rich complexes are important research objects in the field of high-energy materials. However, weak coordination abilities lithium ions relative to those other metal with greater atomic numbers have hindered their applications complexes. Herein, we successfully prepared novel lithium-based (N2H5-2AZTO-Li and NH3OH-2AZTO-Li) by exploiting structural properties 1-hydroxytetrazolium-5-hydrazine (HAZTO). Both N2H5-2AZTO-Li NH3OH-2AZTO-Li were found exhibit physicochemical parameters (including density, stability, energetic properties) that intermediate between simple ionic compounds (3 4) (5) formed them, enabling a favorable balance high energy, environmental friendliness (for N2H5-2AZTO-Li: detonation velocity (D) = 9005 m s–1, pressure (P) 35.5 GPa, decomposition temperature (Tdec) 238.1 °C, impact sensitivity (IS) 24 J, friction (FS) 210 N, product (DP) (CO) < 2%; for NH3OH-2AZTO-Li: D 9028 P 35.7 Tdec 211.2 IS 20 FS 180 DP 2%). This study transcends conventional forms complexes, opening new horizons design insensitive

Language: Английский

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Construction of High-Performance Energetic MOFs: C₄N₈O₄^2– and C₃N₄O₄^2– with Their Derivatives, Compared with Their Energetic Salts

Crystal Growth & Design, Journal Year: 2023, Volume and Issue: 23(2), P. 820 - 831

Published: Jan. 19, 2023

A promising strategy for handling the inherent contradiction of energetic materials (EMs, energy vs stability) metal–organic frameworks and salts is proposed. series novel high-performance EMs, [(C4N8O42–)(K+)2(H2O)2], [(C3N4O42–)2(Cu2+)2(H2O)4], [(C4HN8O4–)(K+)(H2O)] [(C4HN8O4–) (K+)(H2O)] (2–3 5–6) 7–11, were synthesized, characterized, fully investigated. The detailed structures physiochemical properties 2–3 5–8 obtained by single-crystal X-ray diffraction (XRD). Differential scanning calorimetry, impact sensitivity, friction sensitivity measured followed simulation calculation ΔHf, noncovalent interaction, detonation velocity pressure, Hirshfeld surface to evaluate comprehensive synthesized substances. relationships between thermal stabilities, mechanical sensitivities, performance with molecular compounds discussed. Additionally, reaction transition states bond dissociation nitro simulated investigate mechanism preparation decomposition 2 future studies on EMs.

Language: Английский

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