Series of Azido and Fused-Tetrazole Explosives: Combining Good Thermal Stability and Low Sensitivity

ACS Applied Materials & Interfaces, Journal Year: 2022, Volume and Issue: 14(34), P. 39091 - 39097

Published: Aug. 22, 2022

The introduction of azido groups into the energetic skeleton has advantages increasing energy level. In this work, a series compounds with good stability and low sensitivity as well tetrazole-fused based on salts are synthesized. detonation pressures velocities these new fall in ranges 18.9-27.3 GPa 7153-8450 m s-1, respectively. velocity potassium 3, 6, 7 7810, 7153, 7989 Also, their decomposition temperatures (244, 237, 240 °C, respectively) higher than that traditional explosive RDX (204 °C). Notably, two representative 2 5 possess temperature (2: 196 °C 5: 178 °C) overall properties D = 8129 s-1 P 26.6 8336 27.3 GPa) relativity lower sensitivities IS 12 J FS N 10 144 N) primary 2-diazo-4,6-dinitrophenol (Td 157 6900 24.7 GPa, 1 J, N). Moreover, initiation capacity was also assessed through tests. results indicate could be promising environmentally friendly explosive.

Language: Английский

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1,3,5-Tris[(2H-tetrazol-5-yl)methyl]isocyanurate and Its Tricationic Salts as Thermostable and Insensitive Energetic Materials

Organic Letters, Journal Year: 2022, Volume and Issue: 24(19), P. 3555 - 3559

Published: May 6, 2022

Various energetic salts (3a-f) were obtained from 1,3,5-tris[(2H-tetrazol-5-yl)methyl]isocyanurate (3), while N2,N4,N6-tri(1H-tetrazol-5-yl)-1,3,5-triazine-2,4,6-triamine (5) and N,N'-{6-[(1H-tetrazol-5-yl)amino]-1,3,5-triazine-2,4-diyl}bis[N-(1H-tetrazol-5-yl)nitramide] (6) cyanuric chloride via a simple, efficient two-step synthetic route inexpensive starting materials. Compounds 3a-f 6 show excellent detonation properties (VOD = 7876-8832 m s-1, DP 20.73-30.0 GPa), high nitrogen content (>62%), positive heats of formation (205.2-1888.9 kJ mol-1) with thermostability remarkable insensitivity.

Language: Английский

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Fluorine‐Containing Functional Group‐Based Energetic Materials

The Chemical Record, Journal Year: 2023, Volume and Issue: 23(9)

Published: June 2, 2023

Abstract Molecules featuring fluorine‐containing functional groups exhibit outstanding properties with high density, low sensitivity, excellent thermal stability, and good energetic performance due to the strong electron‐withdrawing ability density of fluorine. Hence, they play a pivotal role in field materials. In light current theoretical experimental reports, this review systematically focuses on three types materials possessing F‐ NF 2 ‐ substituted trinitromethyl (C(NO ) F, C(NO ), trifluoromethyl group (CF 3 difluoroamino pentafluorosulfone (NF , SF 5 investigates synthetic methods, physicochemical parameters, each. The incorporation moieties is critical for development novel energy materials, rapidly being adopted design

Language: Английский

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Advanced ultra heat-resistant explosives with multiple heterocyclic skeletons of hydrogen bond network

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(36), P. 24188 - 24194

Published: Jan. 1, 2024

H4 ( T d = 365 °C, D 8844 m s −1 ) synthesized in this work possesses both super heat resistance and high explosive properties, strongly supporting it as a candidate for advanced ultra heat-resistant explosives.

Language: Английский

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A Synthetic Strategy for the Preparation of Fused [5,6,5,5]-Tetracyclic Energetic Compounds

Organic Letters, Journal Year: 2023, Volume and Issue: 25(14), P. 2461 - 2465

Published: April 3, 2023

This study explores a straightforward synthetic strategy for preparing fused [5,6,5,5]-tetracyclic energetic compounds. Compound 4 has high thermostability (Td = 307 °C), which is comparable to that of traditional heat-resistant explosive HNS 318 but higher detonation velocity (8262 m s–1) than (7612 s–1). These results indicate compound deserves further investigation as potential explosive.

Language: Английский

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Elaborating NH-Bridged Nitrogen-Rich Energetic Materials via Base-Mediated Dimroth Rearrangement: Synthesis, Characterization, and Performance Study

The Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 89(11), P. 8192 - 8200

Published: May 23, 2024

The pursuit of heat-resistant energetic materials featuring high thermostability and energy has gained keen interest in recent years owing to their use coal mining aerospace domains. In this study, we synthesized 4-((4,6-diamino-1,3,5-triazin-2-yl) amino)-1

Language: Английский

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Toward High-Energy and Low-Sensitivity Energetic Materials Based on a Fused [5,5,5,6]-Tetracyclic Backbone

Organic Letters, Journal Year: 2023, Volume and Issue: 25(19), P. 3487 - 3491

Published: May 4, 2023

A route for fused [5,5,5,6]-tetracyclic energetic compounds based on the facile cyclization reaction has been explored. Fused compound 4 shows a high measured density (1.924 g cm–3), low sensitivity (IS = 10 J, and FS 144 N), an excellent detonation velocity (9241 m s–1), which are much better than those of RDX. The results indicate that is potential candidate as secondary explosive provide new insight into construction polycyclic heterocycles.

Language: Английский

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Construction of Symmetric Energetic Compounds with Lower Sensitivity via Integration of Flexible Chains

Crystal Growth & Design, Journal Year: 2025, Volume and Issue: 25(5), P. 1355 - 1363

Published: Feb. 17, 2025

High-energy-density materials (HEDMs) have made significant progress in defense and space applications, but they still confront the challenges of unsatisfactory safety, sensitivity, chemical applicability. In this work, a strategy to synthesize symmetric energetic by introducing flexible chains (−CH2– or −CH2CH2−) is reported based on 5-azido-3-nitro-1H-1,2,4-triazole 1. N,N′-Methylene bridged compound 2 N,N′-ethylene 3 are successfully obtained through one-step synthesis with high yield. The introduction significantly reduced mechanical sensitivity two compounds. This change can be attributed synergistic effects several factors, including formation hydrogen bonds, oxygen balance, variations ESP molecular surface. As result, (IS = 15 J, FS 360 N) > 40 exhibit lower compared monocyclic functional integrated 1 5 42 N). detonation velocities compounds 8439 7979 m·s–1, respectively.

Language: Английский

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Dinitroacetylene: Can It be Made?

Propellants Explosives Pyrotechnics, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 22, 2025

ABSTRACT With a predicted record‐high heat of formation, energy density, and outstanding performance as rocket propellant, dinitroacetylene stretches the imagination for what is possible in terms organic chemical explosives monopropellants. In this study, we employ quantum methods to predict its thermodynamic properties, ionization potential, electron affinity, ultraviolet‐visible spectra, nuclear magnetic resonance, vibrational investigate proposed decomposition mechanisms. While unimolecular pathways are have high activation energies, nitrogen oxide radical species—commonly present reaction mixtures energetic materials—are found significantly catalyze dinitroacetylene. This catalytic effect may explain previous unsuccessful synthesis attempts. A frontier orbital analysis suggests that partial reduction could increase C─N bond order, offering strategy stabilize elusive high‐energy‐density material.

Language: Английский

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Preparation of Novel High-Performing Energetic Salts via Precise Tuning of Acidity

Crystal Growth & Design, Journal Year: 2025, Volume and Issue: unknown

Published: May 14, 2025

Language: Английский

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