Energetic Materials Frontiers, Journal Year: 2024, Volume and Issue: unknown
Published: Aug. 1, 2024
Language: Английский
Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(16), P. 6790 - 6799
Published: July 31, 2024
The dominance of nitro pyrazole-based explosives in the recently reported high-performing energetic materials motivated us to comprehensively investigate energy–stability correlation among different compounds based on 3,5-dinitro pyrazoles employing various computational methods. We also explored and physicochemical properties overlooked compound 3,5-dinitropyrazole-4-carboxylic acid (CDNP). This study revealed that CDNP exhibits highest thermal stability 4-substituted-3,5-dinitropyrazoles, combined with an acceptable performance. These characteristics are attributed its layered packing, strong intermolecular interactions, carbonyl bonds. Furthermore, dicationic salt formation further allowed fine-tune overall performance stability. dihydroxylammonium (5) shows best performance, comparable well-known traditional explosive TATB, good low sensitivity toward impact friction.
Language: Английский
Citations
8
Dalton Transactions, Journal Year: 2024, Volume and Issue: 53(42), P. 17179 - 17189
Published: Jan. 1, 2024
A family of new asymmetric N -methylene-C linked nitropyrazoles and 1,2,4-triazol-3-one based thermally stable energetic materials with reduced sensitivity has been synthesized. Background image via Canva.
Language: Английский
Citations
4
Organic Letters, Journal Year: 2025, Volume and Issue: 27(4), P. 1060 - 1065
Published: Jan. 16, 2025
In this work, two energetic compounds 5-(3-iminio-6-nitro-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-2(7H)-yl)tetrazol-1-ide (TT) and 3-nitro-7-(2H-tetrazol-5-yl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-6-amine (FT) were successfully synthesized from the same compound 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazolium (TATOT). Both contain three explosophores, amino, nitro, tetrazole, on fused ring. Through different functional group arrangements, TT possesses higher density good thermal stability. FT exhibits a low sensitivity to mechanical stimulation. show promising performance properties.
Language: Английский
Citations
0
Catalysis Letters, Journal Year: 2025, Volume and Issue: 155(3)
Published: Jan. 22, 2025
Language: Английский
Citations
0
Structural Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 23, 2025
Language: Английский
Citations
0
Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141579 - 141579
Published: Jan. 1, 2025
Language: Английский
Citations
0
Propellants Explosives Pyrotechnics, Journal Year: 2025, Volume and Issue: unknown
Published: Feb. 4, 2025
ABSTRACT Behind the synthesis of any new high‐energy density material is objective to achieve equilibrium between energy and stability, which becomes laborious because their adversarial nature. Nitropyrazoles, with viable syntheses easy modifiability, have been adopted typically as backbones this goal. However, acidic nature pyrazole N H in nitropyrazoles limits usefulness despite exhibiting appealing characteristics. 4‐Hydroxy‐3,5‐dinitropyrazole (HODNP) an interesting skeleton presence hydroxy functionality two nitro groups, not only provides additional oxygen content for better output but also possesses quality strong hydrogen bonding interactions tuning properties via salt formation. N‐alkylation most straightforward technique protection unwanted proton, addition making them more physically stable. In work, we synthesized ‐methylated , N’ ‐ethylene‐bridged derivatives ( 2 7 ) HODNP. Mono dicationic salts 3 ‐ 6 8 11 were boost performance further. N‐methylated neutral compound its ammonium confirmed through 15 NMR analysis, was single‐crystal analysis. All compounds showed excellent physical stability (IS >40 J, FS > 360 N), good thermal (T d 180°C). The detonation characteristics found be similar ones 1,3,5‐triamino‐2,4,6‐trinitrobenzene (D v = 7704–8172 m/s, p 22.4–27.3 GPa).
Language: Английский
Citations
0
ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(18)
Published: May 1, 2025
Abstract The polynitroazole plays an important role in the design of high‐energy density materials. A series nitrogen‐rich salts based on trinitromethyl‐substituted 1 H ‐1,2,4‐triazole bridging nitropyrazole was prepared. These newly synthesized were fully characterized by chemical analysis (infrared, NMR, and mass spectroscopy) as well experimental tests (thermostability sensitivities). Their detonation properties (detonation velocity, pressure, etc.) determined EXPLO5 program basis heat formation. show moderate thermostabilities low sensitivities (IS ≥ 10 J, FS 252 N) due to intermolecular hydrogen bonding interactions. most promising insensitive compound is salt 2, which possesses a high (1.80 g cm −3 ), relatively thermal stability (149 °C), sensitivity = 30 N), good velocity (8997 m s −1 ) pressure (36.7 GPa) comparable cyclotrimethylenetrinitramine (RDX). This study supports efficiency utilizing combined with systems development new high‐energy, energetic
Language: Английский
Citations
0
ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(47), P. 64846 - 64857
Published: Nov. 12, 2024
The field of high energy density materials faces a long-standing challenge to achieve an optimum balance between and stability. While energetic salt formation via combination oxygen- nitrogen-rich anions (providing energy) with nitrogen-containing cations stability) has been proven approach for improving physical stability, constraints such as lowering performance remain unresolved. This can be addressed by utilizing oxygen-containing formation. However, this is rarely explored because its synthesis challenging. In work, we have designed oxygen-rich cationic precursor
Language: Английский
Citations
3
Inorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 13, 2025
Zwitterionic energetic materials offer a unique combination of high performance and stability, yet their synthesis stability enhancement remain key challenges. In this study, we report the highly stable (dinitromethyl-functionalized zwitterionic compound, 1-(amino(iminio)methyl)-4,5-dihydro-1H-pyrazol-5-yl)dinitromethanide (4), with thermal decomposition temperature 215 °C, surpassing that most previously reported monocyclic zwitterions (Td < 150 °C). This compound was synthesized via intramolecular cyclization trinitromethyl-functionalized hydrazone precursor. Further chemical modifications, including nitration fluorination, enabled zwitterion-to-zwitterion transformations, resulting in formation nitramines 10 12. Additionally, perchlorate salt (8) 4 synthesized, along ammonium (13), guanidinium (14), potassium (15) salts derived from 10, all retaining properties. Physicochemical evaluations reveal zwitterion 12 exhibits excellent = 181 °C) an optimal balance between energy output (detonation velocity: 8329 m s-1, detonation pressure: 29.4 GPa) reduced sensitivity (impact sensitivity: 35 J, friction 320 N). Notably, 15 demonstrates superior 233 °C), exceeding RDX. These results expand design framework for contribute to development high-energy, low-sensitivity materials.
Language: Английский
Citations
0