Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host–guest inclusion strategy

Journal of Materials Chemistry A, Journal Year: 2019, Volume and Issue: 7(33), P. 19248 - 19257

Published: Jan. 1, 2019

A versatile host–guest driven explosive-oxidant inclusion strategy was proposed to develop advanced high-energy-density materials (HEDMs) with high detonation performances, low mechanical sensitivities and excellent combustion properties.

Language: Английский

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Zwitterionic Energetic Materials: Synthesis, Structural Diversity and Energetic Properties

Chemistry - An Asian Journal, Journal Year: 2024, Volume and Issue: 19(17)

Published: June 10, 2024

Abstract Zwitterionic compounds are an emergent class of energetic materials and have gained synthetic interest many in the recent years. Due to their better packing efficiencies strong inter/intramolecular electrostatic interactions, they often ensue superior properties than salt analogues. A systematic review from perspective design, synthesis, physicochemical evaluation zwitterionic is presented. Depending on parent ring(s) used for synthesis type moieties bearing positive negative charges, different classes materials, such as primary explosives, secondary heat resistant oxidizers, etc., may result. The some also compared with analogous salts. This will encourage readers explore possibility designing new materials.

Language: Английский

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A Promising Strategy toward the Development of C–C- and C–N-Linked Tricyclic Tetrazole Energetic Materials with High Energy Density

The Journal of Organic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 9, 2025

Tetrazole-based energetic materials have received extensive attention from researchers due to their high heats of formation and nitrogen contents. In this work, a novel tricyclic tetrazole compound linked by C–C C–N bonds was synthesized for the first time, series salts (1–4) were prepared. addition, 2,2′-bis(dinitromethyl)-2H,2′H-5,2′-5,5′-tertetrazole (DNTBT) assembling dinitromethyl with tetrazole. Among them, six compounds further determined single-crystal X-ray diffraction analysis. And theoretical calculations demonstrate that all exhibit positive heat formation. The target are much greater than those RDX, HMX, CL-20. computational results indicate DNTBT (D = 9580 m·s–1, P 39.2 GPa) its ionic 6 9038 34.4 GPa), 7 9178 35.2 8 9297 37.7 superior detonation performance compared HMX 8795 34.9 comparable RDX 9144 GPa). This work provides guidance future in developing high-energy-density materials.

Language: Английский

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New Promises from an Old Friend: Iodine-Rich Compounds as Prospective Energetic Biocidal Agents

Accounts of Chemical Research, Journal Year: 2020, Volume and Issue: 54(2), P. 332 - 343

Published: Dec. 10, 2020

ConspectusFor a very long time, frequent occurrences of biocrises have wreaked havoc on human beings, animals, and the environment. As result, it is necessary to develop biocidal agents destroy or neutralize active by releasing large amounts strong biocides which are obtained upon detonation. Iodine an efficient agent for bacteria, fungi, yeasts, viruses, spores, protozoan parasites, sole element in periodic table that can microbes without contaminating Based chemical biology, mechanism iodine as bactericide may arise from oxidation iodination reactions cellular proteins nucleic acids. However, because high vapor pressure causing elemental sublime readily at room temperature, inconvenient use this material its normal solid state directly under ambient conditions. Iodine-rich compounds where firmly bonded molecules C–I I–O moiety been observed be among most promising energetic compounds. Gaseous products comprised iodine-containing components released decomposition explosion iodine-rich Because detonation pressure, species distributed over area greatly improving efficacy system requiring considerably less effort compared traditional methods. The commercially available tetraiodomethane tetraiodoethene, possess superb content also disadvantages volatility, light sensitivity, chemically reactivity, therefore, not suitable agents. It absolutely critical synthesize new with good thermal stabilities.In Account, we describe our strategies syntheses while maintaining maximum concomitant stability routes synthesis oxygen-containing improve oxygen balance achieve both high-energy high-iodine content. In other work, involves cocrystals, polymers were summarized. hoped Account will provide guidelines design route development inexpensive, more efficient, safer antibiological warfare future.

Language: Английский

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Oxygen-Enriched Metal–Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate

ACS Applied Materials & Interfaces, Journal Year: 2021, Volume and Issue: 13(18), P. 21516 - 21526

Published: April 30, 2021

Energetic metal–organic frameworks (EMOFs) with a high oxygen content are currently hot spot in the field of energetic materials research. In this article, two series EMOFs different ligands were obtained by reacting 1-(trinitromethyl)-1H-1,2,4-triazole-3-carboxylic acid (tntrza) metal iodide and nitrate, respectively. Furthermore, their structure, thermal stability, decomposition kinetics, energy performance fully characterized. The research results revealed that synthesized possess wide range density (ρ = 1.88∼2.595 g cm–3), balance (OB(CO2) −21.1∼ −4.3%), acceptable (D 7.73∼8.74 km s–1 P 28.1∼41.1 GPa). difference OB(CO2) caused ligand structure properties has great impact on distribution gas-phase products after these EMOFs. Noteworthy, [Ag(tntrza)]n is particularly prominent among EMOFs, not only because its excellent detonation 8.74 41.1 GPa) endowed extremely 2.595 cm–3) −4.3%) but also effective catalytic effect ammonium perchlorate (AP). This article broadens horizon for study oxygen-enriched effects helps understand mechanism nitroform dinitro groups.

Language: Английский

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Challenging the limits of the oxygen balance of a pyrazole ring

Chemical Engineering Journal, Journal Year: 2022, Volume and Issue: 451, P. 138609 - 138609

Published: Aug. 12, 2022

Language: Английский

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Halogen bonding (C-F···X) and its effect on creating ideal insensitive energetic materials

Chemical Engineering Journal, Journal Year: 2022, Volume and Issue: 440, P. 135969 - 135969

Published: March 25, 2022

Language: Английский

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Trinitromethyl groups-driven fused high energy compound featuring superior comprehensive performances

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 479, P. 147355 - 147355

Published: Nov. 24, 2023

Language: Английский

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Polynitro-functionalized 4-phenyl-1H-pyrazoles as heat-resistant explosives

Organic & Biomolecular Chemistry, Journal Year: 2023, Volume and Issue: 21(32), P. 6604 - 6616

Published: Jan. 1, 2023

This work demonstrates the synthesis, characterization, and energetic properties’ evaluation of polynitro-functionalized 4-phenyl-1 H -pyrazole-based heat-resistant explosives.

Language: Английский

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Chemical Descriptors for a Large-Scale Study on Drop-Weight Impact Sensitivity of High Explosives

Journal of Chemical Information and Modeling, Journal Year: 2023, Volume and Issue: 63(3), P. 753 - 769

Published: Jan. 25, 2023

The drop-weight impact test is an experiment that has been used for nearly 80 years to evaluate handling sensitivity of high explosives. Although the results this are known have large statistical uncertainties, it one most common tests due its accessibility and modest material requirements. In paper, we compile a data set (mainly performed at Los Alamos National Laboratory), along with compendium molecular chemical descriptors explosives under test. These consist over 500 unique explosives, 1000 repeat tests, 100 descriptors, total about 1500 observations. We use random forest methods estimate model explosive as function properties Our predicts well across wide range types, spanning broad performance sensitivity. find related performance, such heat explosion, oxygen balance, functional group, highly predictive Yet, models omit many these still perform well. suggest there not or even several factors explain sensitivity, but complex, interrelated effects play.

Language: Английский

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