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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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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The combined effect of pyrazole and amino groups: preparation of novel energetic coordination compounds with high ClO₄⁻ content

Inorganic Chemistry Frontiers, Journal Year: 2023, Volume and Issue: 10(18), P. 5311 - 5319

Published: Jan. 1, 2023

Cu(H 2 DAPZCA) (ClO 4 ) (EIsCCs-1) has a multi-functional structure composed of an ionic salt and coordination compound. It also the advantages high ClO − content oxygen balance, acceptable mechanical stimulation excellent explosion performance.

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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1-Amino-5-nitriminotetrazolate as a Promising Anion in Safe yet Powerful Energetic Coordination Compounds

Dalton Transactions, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

1-Amino-5-nitriminotetrazole (ANIT) was used as an energetic chelating anion for the formation of coordination compounds (ECCs) with no-fire limits. Two produced ECCs were examined their grain size, shape and size distribution.

Language: Английский

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Host–Guest Synergy of Metal–Organic Frameworks for Enhanced Near-Infrared Ultrafast Laser Responsiveness

ACS Central Science, Journal Year: 2025, Volume and Issue: unknown

Published: March 18, 2025

Host–guest metal–organic frameworks (MOFs) offer significant potential and value in regulating optimizing novel material properties functionalities, owing to the synergistic effects between host framework guest units. This study reported two silver-based host–guest MOFs, [Ag(ATRZ)(BrO3)]n (CMOF-1) [Ag(ATRZ)1.5(ClO4)]n (CMOF-2), as promising candidates for laser-responsive materials. These materials feature 1D 3D structures, respectively, comprising Ag-ATRZ cationic MOF integrated with distinct oxidizing anionic guests, BrO3– ClO4–. CMOF-1 CMOF-2 are synthesized through straightforward, environmentally benign methods, enabling rapid fabrication. The exceptional near-infrared (NIR) laser responsiveness of was achieved modulation MOFs (CMOFs) architectures interactions components. Moreover, both exhibit ultrafast deflagration-to-detonation transition (DDT) capabilities, alongside excellent thermal stability. work expands application scope provides an effective strategy developing high-performance

Language: Английский

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The Effects of Isomer Ligands on Characteristics of Novel Structural Energetic Coordination Compounds

Energetic Materials Frontiers, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

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Multi-Scale study on combustion acceleration and Self-Catalytic mechanisms of Nickel-Based energetic complex [Ni(N2H4)2](N3)2

Fuel, Journal Year: 2025, Volume and Issue: 395, P. 135134 - 135134

Published: March 30, 2025

Language: Английский

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Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties

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

Published: Jan. 1, 2025

By modulating the coordination chemistry through varying reaction conditions, two novel energetic complex compounds, ECCs-1 and ECCs-2, exhibited different structures, thermal stabilities, mechanical sensitivities, laser ignition performances.

Language: Английский

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A new sulfur-containing laser-sensitive primary explosive based on thiazole-4-carbohydrazide

Energetic Materials Frontiers, Journal Year: 2024, Volume and Issue: 5(3), P. 191 - 198

Published: Feb. 9, 2024

This study effectively synthesized thiazole-4-carbohydrazide (SZCA) and its ionic salt SZCA·HClO4 energetic complex Cu(SZCA)2(ClO4)2 (ECC-1). The new compound SZCA, ECC-1 were fully characterized through elemental analysis, infrared spectroscopy, 13C NMR spectroscopy thermal stability analysis. combustion heat of was measured by oxygen bomb calorimetry, detonation performance predicted Kamlet-Jacobs formula EXPLO5, respectively. mechanical sensitivity tested using BAM method. In particular, we comprehensively evaluated the initiation ability lead plate destruction experiment laser experiment. results show that have a decomposition temperature 236 °C, exhibits acceptable (impact sensitivity: 3.4 J, friction 4 N), decent properties (D: 6.6 km s−1, P: 21.3 GPa). And could be initiated single-pulse (λ: 808 nm, 20 W, t: 3 ms), successfully detonated next charge, such as RDX CL-20.

Language: Английский

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