Progress in Energy−Safety Balanced Cocrystallization of Four Commercially Attractive Nitramines

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(17), P. 7361 - 7388

Published: Aug. 19, 2024

In 2011, cocrystallization of energetic materials became a hot topic and pathway to overcome the energy−safety contradiction; especially for commercially attractive nitramines, it first preference researchers. The present review focuses on energetic−energetic four CL20, HMX, BCHMX, RDX, structural aspects these cocrystals, their influence thermochemical detonation properties. Cocrystallization has proven be crystal engineering technique achieve safety morphological suitability cocrystals (EECCs). Overall, in most cases, impact sensitivities EECCs are decreased, this is phenomenal change; however, needed adjust with properties slightly, negligible if coformer (EMs) properly chosen. There other notable variations morphologies packing crystals, including key such as relatively high density melting point. These changes occur due binding energy, trigger bond length, cohesive energy during cocrystallization. Researchers highly focused nitramines; earlier reported methods lacking selectivity scalability. When comes adoption industrial scale production EECCs, more difficult. We conducted thorough literature survey. Also we discussed about recently developed VPSZ coagglomeration method, which provides huge opportunity tune performance existing easy up level.

Language: Английский

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Symmetric Refunctionalization of Diaminodinitropyrazine with Hydrazine and Aminotetrazole: Strategy for Enhancing Detonation Performance and Safety in Energetic Materials

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(32), P. 15144 - 15153

Published: Aug. 2, 2024

Two novel nitrogen-rich green energetic compounds were synthesized for the first time from readily available and cost-effective pyrazine starting materials. All newly molecules comprehensively characterized, including infrared spectroscopy, nuclear magnetic resonance, elemental analysis, mass spectrometry, thermogravimetric analysis-differential scanning calorimetry. have additionally been validated by single-crystal X-ray diffraction analysis. The physicochemical properties of

Language: Английский

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Novel approach for preparation of the energy-safety balanced cocrystals of attractive nitramines via coagglomeration

FirePhysChem, Journal Year: 2024, Volume and Issue: 4(4), P. 283 - 294

Published: March 6, 2024

Co-agglomeration unique crystal engineering approach; in which the co-precipitated micro-particles of nitramines with other energetic materials co-agglomerated by slurry method; to modify properties attractive like CL20, HMX, BCHMX, and RDX etc. The interesting structural modifications newly prepared crystals (CACs) one are discussed here. There notable variations morphologies packing crystals, including key relatively high density, melting point, impact sensitivity, detonation properties. These CACs overwhelming majority showing co-crystals. Apart from these aspects, co-agglomeration provides a huge opportunity tune performance existing is easy scale-up for industrial level. preliminary results also suggest that chemical factors involved preparation have tremendous improvements than conventional crystallization. With technological optimization this method can be employable scale production.

Language: Английский

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Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C–C bonded pyrazoles and triazoles

Dalton Transactions, Journal Year: 2023, Volume and Issue: 52(35), P. 12271 - 12281

Published: Jan. 1, 2023

In energetic materials research, coordination compounds (ECCs) have received much attention due to their high thermal stability and insensitivity mechanical stimuli. The characteristics of ECCs can be modified by combining various metal cations, potent anions, ligands. this study, we synthesized two ligands, 5-(4-nitro-1H-pyrazol-3-yl)-1H-1,2,4-triazol-3-amine (NPTA) (Z)-N-(5-(4-nitro-1H-pyrazol-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-ylidene)nitramide (NPTN), from a commercially viable starting material reacted them with nitrate salts 3d metals (e.g., Ni, Co, Zn) obtain six new ECCs, [Ni(NPTA)(H2O)3]2·2NO3 (1), [Co(NPTA)(H2O)3]2·2NO3 (2), [Zn(NPTA)(H2O)3]2·2NO3 (3), [Ni(NPTN)(H2O)3]2 (4), [Co(NPTN)(H2O)3]2 (5), [Zn(NPTN)(H2O)3]2 (6) under ambient conditions. All the newly prepared were characterised through PXRD, IR, SEM, TGA-DSC analysis. Furthermore, single crystal analysis proved that 1-6 are dimeric complexes. Moreover, show excellent density ranges 1.94 2.06 g cm-3 remarkable (216-352 °C), highly insensitive towards impact (>40 J) friction (>360 N), describing potential as performing materials. revealed good enthalpy combustion (-6.3 -9.94 kJ g-1). Additionally, Hirshfeld surface 2D fingerprint used understand close contact atoms within molecules. High densities, stabilities low sensitivities make interesting for further studies applications safe high-energy dense

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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Exploring the Explosive Potential: Synthesis and Characterization of Ring-Fused Oxadiazolo[3,4-b]pyrazine 1-Oxide Polymorphs with Balanced Energetic Properties

Organic Letters, Journal Year: 2024, Volume and Issue: 26(28), P. 6006 - 6011

Published: July 8, 2024

A novel fused-ring compound, 5-azido-6-oxo-6,7-dihydro-[1,2,5]oxadiazolo[3,4-

Language: Английский

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Straightforward Synthesis of Insensitive 2-(1-Hydroxy-2,2-dinitrovinyl)guanidine and Its Guanidinium Dinitromethanide Salt as a High Energy Density Material

The Journal of Organic Chemistry, Journal Year: 2023, Volume and Issue: 88(18), P. 13178 - 13183

Published: Aug. 29, 2023

High energetic 2-(1-hydroxy-2,2-dinitrovinyl)guanidine and guanidinium dinitromethanide (GDNM) salt were synthesized in one two steps using a simple cost-effective methodology from commercially available inexpensive starting materials with high yield. NMR, IR spectroscopy, elemental analysis, differential scanning calorimetry studies used to characterize compound 2a GDNM salt. Single-crystal XRD, Hirshfeld surface SEM analysis study the crystal structure, hydrogen-bonding/noncovalent interactions, morphology of salt, respectively. The physicochemical properties reveal their good performance, specific impulse, mechanical insensitivity, which are better than that propellants such as ADN AP close benchmark explosives RDX FOX-7.

Language: Английский

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Solvent Free Potassium 3,5‐dinitro‐6‐oxo‐1,6‐dihydropyrazin‐2‐olate 3D EMOF as Thermally Stable Energetic Material

Chemistry - An Asian Journal, Journal Year: 2024, Volume and Issue: 19(14)

Published: May 6, 2024

Abstract Heat‐resistant explosives play a vital role in indispensable applications. For this, we have synthesized novel, three‐dimensional, solvent‐free energetic metal−organic framework (EMOF) potassium 3,5‐dinitro‐6‐oxo‐1,6‐dihydropyrazin‐2‐olate ( KDNODP ) straightforwardly. The EMOF was characterized through IR, NMR spectroscopy, elemental analysis, and differential scanning calorimetry studies. Furthermore, single‐crystal X‐ray diffraction provided complete description of . It exhibits three‐dimensional structure with remarkably balanced properties such as high density (2.11 g cm −3 ), excellent thermal stability (291 °C), good detonation performance (8127 m s −1 26.94 GPa) low mechanical sensitivity (IS=35 J; FS=360 N) than the commonly used heat‐resistant HNS (density=1.74 ; VOD=7164 , DP=21.65 GPa, IS=5 J) well similar reported MOFs. To gain insights into packing intermolecular interactions, Hirshfeld surface 2D fingerprint analysis were examined. Additionally, electron microscopy to investigate particle size morphological characteristics These outcomes highlight successful method for creating 3D based on six‐membered heterocycle potential material.

Language: Английский

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Amine and nitramine functionalization of imidazole‐triazine and triazole‐triazine skeletons: Exploring for potential multipurpose energetic materials

Journal of Heterocyclic Chemistry, Journal Year: 2023, Volume and Issue: 61(3), P. 401 - 406

Published: Dec. 19, 2023

Abstract A series of five and six‐membered C‐C bonded energetic materials ( 2 – 7 ) based on a combination imidazole‐triazine triazole‐triazine backbones were designed, synthesized, characterized using NMR, IR, Mass spectrometry, TGA‐DSC studies. Further, the structure compound 4 was supported by single‐crystal X‐ray analysis. All newly synthesized compounds exhibit good density, excellent thermal stability, detonation performance, low mechanical sensitivity toward impact friction. Among all, nitrate salt exhibits balanced properties, including high density (1.80 g cm −3 ), stability (254°C), velocity (8178 m s −1 towards The facile synthetic feasibility, insensitivity all molecules suggest they can be used as an insensitive secondary explosive in various defense civilian applications.

Language: Английский

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Noncovalent Derivatization

Elsevier eBooks, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

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