Energetic Cocrystallization as the Most Significant Crystal Engineering Way to Create New Energetic Materials DOI
Guangrui Liu, Rupeng Bu, Xin Huang

et al.

Crystal Growth & Design, Journal Year: 2022, Volume and Issue: 22(2), P. 954 - 970

Published: Jan. 13, 2022

Crystal engineering is a highly efficient way to create new materials with the desired properties. Energetic cocrystallization has been thriving for ∼10 years since appearance of series TNT-based energetic cocrystals (ECCs). ECCs serve as one important aspect crystal (EMs). This article presents brief overview regarding component, intermolecular interaction, packing structure, main properties, and preparation, well theoretical treatment some issues raised future development. In most cases, properties an ECC are each moderated between those pure components, setting basis tuning by existing molecules, instead synthesizing molecules; meanwhile, there also exceptions, such higher density, detonation or lower impact sensitivity in comparison both components. These exceptions mutated will expand EMs. Generally, currently staying at primary stage, much effort being required solve urgent issues, property evaluation, large-scale fabrication, applications. Still, promising alternative EMs after all, it huge challenge synthesize satisfactory molecule.

Language: Английский

A review on the high energy oxidizer ammonium dinitramide: Its synthesis, thermal decomposition, hygroscopicity, and application in energetic materials DOI Creative Commons
Fuyao Chen,

Chunlei Xuan,

Qiangqiang Lu

et al.

Defence Technology, Journal Year: 2022, Volume and Issue: 19, P. 163 - 195

Published: May 28, 2022

Ammonium dinitramide (ADN) is considered as a potential substitute for ammonium perchlorate in energetic materials due to its high density, positive oxygen balance, and halogen-free characteristics. However, application has been severely limited because of strong hygroscopicity, difficult storage, incompatibility with isocyanate curing agents. In order better bloom the advantages highly environment-friendly ADN fields materials, an in-depth analysis current situation discussion key research points are particularly important. this paper, detailed overview on synthesis, thermal decomposition, hygroscopic mechanism, anti-hygroscopicity discussed, powdes explosives also presented, future directions proposed.

Language: Английский

Citations

64
Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials DOI
Guojie Zhang, Zhenxin Yi, Guangbin Cheng

et al.

ACS Applied Materials & Interfaces, Journal Year: 2022, Volume and Issue: 14(8), P. 10594 - 10604

Published: Feb. 22, 2022

The development of energetic materials is still facing a huge challenge because the relationship between energy and sensitivity usually contradictory: high always accompanied with low sensitivity. Here, high-energy, low-sensitivity polynitro-functionalized azopyrazole (TNAP) its salts have been synthesized. structural characterization these compounds was analyzed by elemental analysis, 1H 13C NMR spectroscopies, infrared spectroscopy. single-crystal structure K2TNAP, TNAP, 5, 6 obtained X-ray diffraction, K2TNAP novel metal-organic framework. calculated detonation properties TNAP (9040 m s-1 36.0 GPa) are superior to that RDX (8796 33.6 GPa). In addition, also has lower mechanical (IS > 40 J, FS = 244 N) higher decomposition temperature (Td 221 °C) than 7.4 120 N, Td 204 °C). These experimental results suggest may become new candidate for secondary explosives.

Language: Английский

Citations

41
Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation DOI
Ning Liu, Binghui Duan,

Xianming Lu

et al.

CrystEngComm, Journal Year: 2018, Volume and Issue: 20(14), P. 2060 - 2067

Published: Jan. 1, 2018

A CL-20/DNDAP cocrystal explosive prepared by a spray drying method exhibited small particle size with narrow distribution and good comprehensive performance.

Language: Английский

Citations

83
5-(Dinitromethyl)-3-(trinitromethyl)-1,2,4-triazole and its derivatives: a new application of oxidative nitration towards gem-trinitro-based energetic materials DOI
Srinivas Dharavath, Jiaheng Zhang, Gregory H. Imler

et al.

Journal of Materials Chemistry A, Journal Year: 2017, Volume and Issue: 5(10), P. 4785 - 4790

Published: Jan. 1, 2017

A family of 5-(dinitromethyl)-3-(trinitromethyl)-1,2,4-triazole and its derivatives was prepared using a new application oxidative nitration with gem-trinitro-based energetics. These compounds show promise for future energetic materials.

Language: Английский

Citations

77
Energetic N‐Nitramino/N‐Oxyl‐Functionalized Pyrazoles with Versatile π–π Stacking: Structure–Property Relationships of High‐Performance Energetic Materials DOI
Ping Yin, Lauren A. Mitchell,

Damon A. Parrish

et al.

Angewandte Chemie International Edition, Journal Year: 2016, Volume and Issue: 55(46), P. 14409 - 14411

Published: Oct. 20, 2016

Abstract N‐Nitramino/N‐oxyl functionalization strategies were employed to investigate structure–property relationships of energetic materials. Based on single‐crystal diffraction data, π–π stacking pyrazole backbones can be tailored effectively by functionalities, thereby resulting in diversified compounds. Among them, hydroxylammonium 4‐amino‐3,5‐dinitro‐1H‐pyrazol‐1‐olate and dipotassium N,N′‐(3,5‐dinitro‐1H‐pyrazol‐1,4‐diyl)dinitramidate, with unique face‐to‐face stacking, potentially used as a high‐performance explosive an oxidizer, respectively.

Language: Английский

Citations

75
Coordination chemistry with 1-methyl-5H-tetrazole: cocrystallization, laser-ignition, lead-free primary explosives – one ligand, three goals DOI
Norbert Szimhardt, Maximilian H. H. Wurzenberger, Andreas Beringer

et al.

Journal of Materials Chemistry A, Journal Year: 2017, Volume and Issue: 5(45), P. 23753 - 23765

Published: Jan. 1, 2017

Numerous energetic coordination complexes (MnII, FeII, CoII, NiII, CuII, ZnII, and AgI) using 1-methyl-tetrazole as the ligand were synthesized tuned by different counteranions (e.g. NO3−, ClO4−, picrate, styphnate). They show great potential for mechanical or optical initiation systems.

Language: Английский

Citations

72
A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane-based energetic co-crystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions DOI
Qing Ma, Tao Jiang, Yu Chi

et al.

New Journal of Chemistry, Journal Year: 2017, Volume and Issue: 41(10), P. 4165 - 4172

Published: Jan. 1, 2017

A new strategy for the design and preparation of CL-20-based multi-nitrogen energetic co-crystals was revealed by experimental theoretical approaches.

Language: Английский

Citations

69
Predicting the reactivity of energetic materials: an ab initio multi-phonon approach DOI Creative Commons
Adam A. L. Michalchuk∞,

Morris Trestman,

Svemir Rudić

et al.

Journal of Materials Chemistry A, Journal Year: 2019, Volume and Issue: 7(33), P. 19539 - 19553

Published: Jan. 1, 2019

The impact sensitivity of energetic materials is successfully predicted using an ab initio model based on the concepts phonon up-pumping.

Language: Английский

Citations

64
Isomeric Cocrystals of CL-20: A Promising Strategy for Development of High-Performance Explosives DOI
Zongwei Yang,

Haojing Wang,

Yuan Ma

et al.

Crystal Growth & Design, Journal Year: 2018, Volume and Issue: 18(11), P. 6399 - 6403

Published: Sept. 24, 2018

Two novel isomeric cocrystals based on CL-20 (2,4,6,8,10,12-hexanitrohexaazaisowurtzitane) and MDNI (1-methyl-dinitroimidazole) isomers including a 1:1 CL-20/2,4-MDNI (1) CL-20/4,5-MDNI (2) were obtained. These have high densities, predicted detonation properties, low impact sensitivities with excellent thermal stabilities, for example, 2 (ρ: 1.882 g cm–3; D: 8915 m s–1, P: 35.88 GPa; IS: 11 J) exhibits comprehensive performances. Notably, adopting the isomer as coformer constructing energetic or even new cocrystal forms further tuning properties represents study orientation of explosives that is not yet exploited in material field.

Language: Английский

Citations

61
Designing a Palette of Cocrystals Based on Essential Oil Constituents for Agricultural Applications DOI
Paolo P. Mazzeo, Claudia Carraro,

Andrea Monica

et al.

ACS Sustainable Chemistry & Engineering, Journal Year: 2019, Volume and Issue: 7(21), P. 17929 - 17940

Published: Sept. 30, 2019

We propose cocrystallization to extend the use of natural products for environmental and agricultural purposes. show that it is possible design cocrystals based on essential oil constituents adapt release profile oils different conditions. The advantages using compared pure in terms antibacterial antifungal properties are analyzed discussed.

Language: Английский

Citations

57