Combination of Nitrogen-Rich Skeleton and Coordination Group: Synthesis of a High-Energy Primary Explosive Based on 1H-Tetrazole-5-Carbohydrazide

Defence Technology, Год журнала: 2023, Номер 31, С. 271 - 277

Опубликована: Фев. 25, 2023

The high energy coordination compounds Cu(TZCA)2(ClO4)2 (ECCs-1) was prepared by 1H-tetrazole-5-carbohydrazide (TZCA) with a skeleton and strong ability group. At the same time, reaction activity of ligand explored, single crystal structure it intermediate were obtained. structures all substances characterized IR EA. And composition ECCs-1 are confirmed ESP, AC, SEM ICP-OES. Physical chemical properties tests show that has an acceptable thermal stability (Td = 177°C) extremely sensitive mechanical stimulation (IS 1 J, FS 5 N). comprehensive performance test results excellent initiation ability. In addition, decomposition mechanism is explored from two aspects experiment theoretical calculation.

Язык: Английский

---

Polymorphism of CL-20 and the Modification and Inhibition Strategies for Its Crystal Transformation

Crystal Growth & Design, Год журнала: 2024, Номер unknown

Опубликована: Окт. 24, 2024

Язык: Английский

---

Decreasing the hygroscopicity of ammonium dinitramide (ADN) through cocrystallization

Energetic Materials Frontiers, Год журнала: 2022, Номер 3(2), С. 84 - 89

Опубликована: Апрель 5, 2022

To decrease the hygroscopicity of ADN—a energetic oxidizer, this study developed a new cocrystal composed ADN and 18C6 (18-crown-6) at 1:1 ​M ratio through cocrystallization using solvent evaporation method. The structure ADN/18C6 cocrystal, which has been confirmed single X-ray diffraction (SXRD), indicates that formation is attributed to strong intermolecular hydrogen bond interactions between ammonium ions crown ether cycles. melting point 151.5 ​°C, significantly higher than those its respective components: 93.6 ​°C 43.2 18C6. Notably, nearly non-hygroscopic compared with ADN. cocrystal's rate 0.9% when exposed air relative humidity (RH) 60% temperature 30 for 12 ​h. By comparison, ADN's 18% under same conditions. In addition, impact sensitivity 18 ​J, substantially lower raw (2.5 ​J). These results show offers an effective way reduce

Язык: Английский

---

Rational Screening of Cocrystals using Thermal Analysis: Benchmarking on Energetic Materials

Crystal Growth & Design, Год журнала: 2022, Номер 22(12), С. 7349 - 7362

Опубликована: Окт. 25, 2022

Cocrystal design is an important and well-developed approach in the pharmaceutical industry. Energetic materials can be thought of as unique challenging objects for cocrystal engineering since abundant explosophoric functionalities prevent exploiting common supramolecular synthons. Screening formation using thermal analysis methods investigated. A few approaches from literature are combined a single procedure that allows automation, high-throughput screening, usage milligrams material. To estimate accuracy screening procedure, we compiled available data on 213 cocrystals with energetic or very similar to materials. The recommended detect 75% cases (with no false positives), according smaller sample set 28 cocrystal-forming systems. was then used screen novel among several acidic materials, ammonium hydroxylammonium salts, 3-nitro-1,2,4-triazole coformers, 13 were discovered. Then, traditional solution eight prepared, their X-ray structures reported. One discovered, complex promising material, dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (also known TKX-50) 18-crown-6, first TKX-50 reported structure so far. Overall, present unified salts; benchmarking (energetic materials) shows its high performance.

Язык: Английский

---

A review of ultra-high temperature heat-resistant energetic materials

Defence Technology, Год журнала: 2023, Номер 38, С. 33 - 57

Опубликована: Сен. 19, 2023

Heat-resistant energetic materials refer to a type of that possess high melting point, stability and operational safety. By studying the structures these has showed thermal can be enhanced by introducing amino groups form intra/inter-molecular hydrogen bonds, constructing conjugate systems designing symmetrical structures. This article aims review physical chemical properties ultra-high temperature heat-resistant compounds provide valuable theoretical insights for preparation materials. We also analyze selected 20 with decomposition temperatures higher than 350 °C, serving as templates synthesis various high-performance

Язык: Английский

---

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

FirePhysChem, Год журнала: 2024, Номер 4(4), С. 283 - 294

Опубликована: Март 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.

Язык: Английский

---

Construction and Preparation of the Novel ADN/CL-20 Cocrystal via Directional Hydrogen Bonding Design for Turning Hygroscopicity

Inorganic Chemistry, Год журнала: 2024, Номер 63(36), С. 16713 - 16725

Опубликована: Авг. 23, 2024

Ammonium dinitramide (ADN), as a novel and environmentally friendly oxidizer, has strong hygroscopicity when exposed to high-humidity air, which seriously hinders its application in solid propellants. Modification of oxidizers by cocrystallization is an effective strategy improve the energetic components. In this paper, theoretical simulation ADN/CL-20 cocrystals was developed via directional hydrogen bonding design establish cocrystal with improved hygroscopicity. Intermolecular interaction analyses reveal that bonds van der Waals interactions synergistically lead formation cocrystals. The prepared experimentally spray drying self-assembly technique, corresponding thermal analysis sensitivity properties were conducted illustrate stability high safety. Furthermore, critical relative humidity (CRH) measurement carried out evaluate cocrystal, exhibiting certain degree antihygroscopic effect CRH 65%. formed between ADN CL-20 saturate ammonium ions ADN, further preventing from absorbing water molecules air. specific impulse characteristics (

Язык: Английский

---

Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers

CrystEngComm, Год журнала: 2022, Номер 24(16), С. 2948 - 2953

Опубликована: Янв. 1, 2022

Two novel low melting-point cocrystals with high performances were obtained by cocrystallizing TNB 1,4-DNI and DNMT, namely TNB/1,4-DNI (1) TNB/DNMT (2).

Язык: Английский

---

First-principles study on energetic cocrystals of CL-20/4,5-MDNI with two different stoichiometric ratios under high pressure

Journal of Molecular Modeling, Год журнала: 2025, Номер 31(3)

Опубликована: Фев. 25, 2025

Язык: Английский

---

High Energy Density with Low Mechanical Sensitivity: A Novel Energetic Cocrystal Composed of CL-20 and FOX-7 Obtained by Electrostatic Spray Method

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142138 - 142138

Опубликована: Март 1, 2025

Язык: Английский

---