Energetic Salts with π-Stacking and Hydrogen-Bonding Interactions Lead the Way to Future Energetic Materials

Journal of the American Chemical Society, Journal Year: 2015, Volume and Issue: 137(4), P. 1697 - 1704

Published: Jan. 7, 2015

Among energetic materials, there are two significant challenges facing researchers: 1) to develop ionic CHNO explosives with higher densities than their parent nonionic molecules and (2) achieve a fine balance between high detonation performance low sensitivity. We report surprising salt, hydroxylammonium 3-dinitromethanide-1,2,4-triazolone, that exhibits exceptional properties, viz., density, superior performance, improved thermal, impact, friction stabilities, then those of its precursor, 3-dinitromethyl-1,2,4-triazolone. The solid-state structure features the new salt were investigated X-ray diffraction which showed π-stacking hydrogen-bonding interactions contribute closer packing density. According experimental results theoretical analysis, newly designed also gives rise workable compromise in properties desirable stabilities. These findings will enhance future prospects for rational materials design commence chapter this field.

Language: Английский

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Tuning the Luminescence of Metal–Organic Frameworks for Detection of Energetic Heterocyclic Compounds

Journal of the American Chemical Society, Journal Year: 2014, Volume and Issue: 136(44), P. 15485 - 15488

Published: Oct. 17, 2014

Herein we report three metal–organic frameworks (MOFs), TABD-MOF-1, -2, and -3, constructed from Mg2+, Ni2+, Co2+, respectively, deprotonated 4,4′-((Z,Z)-1,4-diphenylbuta-1,3-diene-1,4-diyl)dibenzoic acid (TABD-COOH). The fluorescence of these MOFs is tuned highly emissive to completely nonemissive via ligand-to-metal charge transfer by rational alteration the metal ion. Through competitive coordination substitution, organic linkers in TABD-MOFs are released subsequently reassemble form aggregates due aggregation-induced emission. This enables sensitive selective detection explosives such as five-membered-ring energetic heterocyclic compounds a few seconds with low limits through emission shift and/or turn-on. Remarkably, cobalt-based MOF can selectively sense powerful explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazole-3-one high sensitivity discernible naked eye (detection limit = 6.5 ng on 1 cm2 testing strip) parts per billion-scale spectroscopy pronounced

Language: Английский

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Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials

Journal of the American Chemical Society, Journal Year: 2015, Volume and Issue: 137(33), P. 10532 - 10535

Published: Aug. 11, 2015

Development of modern high-performance insensitive energetic materials is significant because the increasing demands for both military and civilian applications. Here we propose a rapid facile strategy called "layer hydrogen bonding pairing approach" to organize molecules via layer-by-layer stacking, which grants access tunable with targeted properties. Using this strategy, an unusual salt, hydroxylammonium 4-amino-furazan-3-yl-tetrazol-1-olate, good detonation performances excellent sensitivities, was designed, synthesized, fully characterized. In addition, expected unique structure high crystal packing coefficient confirmed by single-crystal X-ray crystallography. Calculations indicate that layer-stacking material can absorb mechanical stimuli-induced kinetic energy converting it layer sliding, results in low sensitivity.

Language: Английский

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A promising high-energy-density material

Nature Communications, Journal Year: 2017, Volume and Issue: 8(1)

Published: July 27, 2017

High-energy density materials represent a significant class of advanced and have been the focus energetic community. The main challenge in this field is to design synthesize compounds with highest possible maximum chemical stability. Here we show an compound, [2,2'-bi(1,3,4-oxadiazole)]-5,5'-dinitramide, synthesized through two-step reaction from commercially available reagents. It exhibits surprisingly high (1.99 g cm-3 at 298 K), poor solubility water most organic solvents, decent thermal stability, positive heat formation excellent detonation properties. solid-state structural features compound are also investigated via X-ray diffraction several theoretical techniques. sensitivity properties explosive similar those 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), developed shows great promise for potential applications as high-energy material.High energy interest, but limiting factor many compounds. authors between that exhibit good stability

Language: Английский

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Energetic Salts Based on 3,5-Bis(dinitromethyl)-1,2,4-triazole Monoanion and Dianion: Controllable Preparation, Characterization, and High Performance

Journal of the American Chemical Society, Journal Year: 2016, Volume and Issue: 138(24), P. 7500 - 7503

Published: June 6, 2016

Molecular modification of known explosives is considered to be an efficient route design new energetic materials. A family salts based on the 3,5-bis(dinitromethyl)-1,2,4-triazole monoanion and dianion were controllably synthesized by using 1-diamino-2,2-dinitroethene as a precursor. X-ray structure determination monohydrazinium 3,5-bis(dinitromethyl)-1,2,4-triazolate (5) monoammonium (6) diammonium hydrate (8·H2O) further confirmed structures these anions. In addition, supported data, in system, roving proton ring nitrogen rather than gem-dinitro carbon results extensive hydrogen-bonding interactions higher packing coefficients. Interestingly, 5 6 possess highest calculated crystal densities, 1.965 1.957 g cm(-3) at 150 K, for hydrazinium ammonium salts, respectively. Energetic evaluation indicates that (detonation velocity vD = 9086 m s(-1); detonation pressure P 38.7 GPa) (vD, 9271 41.0 exhibit great properties, superior those current highly explosive benchmarks, such 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

Language: Английский

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Fluorescent “Turn‐on” Sensing Based on Metal–Organic Frameworks (MOFs)

Chemistry - An Asian Journal, Journal Year: 2019, Volume and Issue: 14(24), P. 4506 - 4519

Published: Oct. 1, 2019

Abstract Metal–organic frameworks (MOFs) have evolved as an exciting class of materials in the domain porous materials. The unique features these arise from combined properties metal ions/clusters and organic struts which form building blocks fascinating architectures. Among other multifarious applications, MOFs shown tremendous applications sensory for a wide variety species. signal transduction induced mechanism confined nanospaces generate optical output response to particular analyte can be detected by detection techniques. Fluorometric methods sensing is one widely studied method over past few decades. MOF‐based fluorometric key research theme developed years. In this review, we give brief overview recent developments “turn‐on” sensors range analytes (viz. cations, anions, volatile compounds (VOCs), etc.).

Language: Английский

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1,2,5‐Oxadiazole‐Based High‐Energy‐Density Materials: Synthesis and Performance

ChemPlusChem, Journal Year: 2019, Volume and Issue: 85(1), P. 13 - 42

Published: Oct. 16, 2019

Abstract This Review covers the synthesis and performance of most promising 1,2,5‐oxadiazole‐based high‐energy density materials (HEDMs). These comprise a 1,2,5‐oxadiazole subunit as key structural motif linked to various acyclic explosophoric groups or nitrogen‐rich nitrogen‐oxygen azoles: 1,2,4‐triazole, tetrazole, 1,2,4‐ 1,3,4‐oxadiazoles. Energetic alliances two more rings directly through heteroatom spacers are also presented. Particular attention is devoted installation different explosophores: nitro, nitramino, azo, azoxy, dinitromethyl, trinitroethyl moieties their combination. Promising environmentally benign energetic with high detonation velocity pressure, outstanding insensitivity summarized. Overall, presented may be considered next‐generation high‐performance that superior commonly used traditional explosives (TNT, PETN, RDX, HMX).

Language: Английский

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Sensitivity of energetic materials: Evidence of thermodynamic factor on a large array of CHNOFCl compounds

Chemical Engineering Journal, Journal Year: 2021, Volume and Issue: 421, P. 129804 - 129804

Published: April 19, 2021

Language: Английский

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Combination of 1,2,4‐Oxadiazole and 1,2,5‐Oxadiazole Moieties for the Generation of High‐Performance Energetic Materials

Angewandte Chemie International Edition, Journal Year: 2015, Volume and Issue: 54(32), P. 9367 - 9371

Published: June 18, 2015

Salts generated from linked 1,2,4-oxadiazole/1,2,5-oxadiazole precursors exhibit good to excellent thermal stability, density, and, in some cases, energetic performance. The design of these compounds was based on the assumption that by combination varying oxadiazole rings, it would be possible profit positive aspects each components. All new were fully characterized elemental analysis, IR spectroscopy, (1)H, (13)C, and (in cases) (15)N NMR analysis (DSC). structures 2-3 5-1⋅5 H2O confirmed single-crystal X-ray analysis. Theoretical performance calculations carried out using Gaussian 03 (Revision D.01). Compound 2-3, with its density (1.85 g cm(-3)), acceptable sensitivity (14 J, 160 N), superior detonation pressure (37.4 GPa) velocity (9046 m s(-1)), exhibits properties those 1,3,5-trinitroperhydro-1,3,5-triazine (RDX).

Language: Английский

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Explosives in the Cage: Metal–Organic Frameworks for High‐Energy Materials Sensing and Desensitization

Advanced Materials, Journal Year: 2017, Volume and Issue: 29(36)

Published: July 21, 2017

An overview of the current status coordination polymers and metal-organic frameworks (MOFs) pertaining to field energetic materials is provided. The explosive applications MOFs are discussed from two aspects: one for detection explosives, other desensitization. By virtue their adjustable pore/cage sizes, high surface area, tunable functional sites, rich host-guest chemistry, have emerged as promising candidates both sensing challenges perspectives in these areas thoroughly discussed, processing methods practical also briefly.

Language: Английский

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