Novel Heat-Resistant Energetic Compounds Based on the Pyrazole–Triazole Backbone with Functional Groups DOI
Chao Zhang, Han Zhang,

Meiqi Xu

et al.

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(8), P. 3160 - 3169

Published: April 6, 2024

Developing heat-resistant explosives with excellent comprehensive performance is currently a significant challenge. Herein, series of new energetic compounds based on pyrazole and triazole were designed synthesized. Their structures characterized by nuclear magnetic resonance (NMR), Fourier transform infrared spectroscopy (FT-IR), elemental analysis (EA), mass spectrometry (MS), the four ion salts also confirmed single-crystal X-ray diffraction. In light crystal data, theoretical calculations including Hirshfeld surfaces, two-dimensional (2D) fingerprint, interaction region indicator used to explain relationship between their structure, stability, safety studying intermolecular hydrogen bonding stacking methods. thermal behavior detonation have been systematically studied. NBDAT its exhibit density ranging from 1.772 1.901 g cm–3 velocity pressure 8234 8812 m s–1 27.0 31.4 GPa, respectively. Among them, neutral has an 1.851 cm–3, decomposition temperature 354.5 °C, superior performances D = s–1, P 30.5 low sensitivity IS 40 J, FS 360 N, making it promising candidate replace 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) hexanitrostilbene (HNS) as explosives.

Language: Английский

Tri-explosophoric groups driven fused energetic heterocycles featuring superior energetic and safety performances outperforms HMX DOI Creative Commons
Jie Li, Yubing Liu,

Wenqi Ma

et al.

Nature Communications, Journal Year: 2022, Volume and Issue: 13(1)

Published: Sept. 28, 2022

The design and synthesis of novel energetic compounds with integrated properties high density, energy, good thermal stability sensitivities is particularly challenging due to the inherent contradiction between energy safety for compounds. In this study, a structure 4-amino-7,8-dinitropyrazolo-[5,1-d] [1,2,3,5]-tetrazine 2-oxide (BITE-101) designed synthesized in three steps. With help complementary advantages different explosophoric groups diverse weak interactions, BITE-101 superior benchmark explosive HMX all respects, including higher density 1.957 g·cm

Language: Английский

Citations

108
Zwitterionic fused pyrazolo-triazole based high performing energetic materials DOI
Parasar Kumar, Navaneet Kumar, Vikas D. Ghule

et al.

Chemical Communications, Journal Year: 2024, Volume and Issue: 60(12), P. 1646 - 1649

Published: Jan. 1, 2024

A series of nitrogen-rich fused energetic materials were synthesized from commercially available inexpensive starting and fully characterized using 1 H 13 C NMR, IR spectroscopy, elemental analysis, DSC.

Language: Английский

Citations

19
Promising Thermally Stable Energetic Materials with the Combination of Pyrazole–1,3,4-Oxadiazole and Pyrazole–1,2,4-Triazole Backbones: Facile Synthesis and Energetic Performance DOI
Abhishek Kumar Yadav, Vikas D. Ghule, Srinivas Dharavath

et al.

ACS Applied Materials & Interfaces, Journal Year: 2022, Volume and Issue: 14(44), P. 49898 - 49908

Published: Oct. 26, 2022

Thermally stable energetic materials have broad applications in the deep mining, oil and natural exploration, aerospace industries. The quest for thermally (heat-resistant) with high energy output low sensitivity has fascinated many researchers worldwide. In this study, two different series of salts based on pyrazole–oxadiazole pyrazole–triazole (3–23) explosophoric groups been synthesized a simple straightforward manner. All newly compounds were fully characterized by IR, ESI-MS, multinuclear NMR spectroscopy, elemental analysis, thermogravimetric analysis–differential scanning calorimetry measurements. structures 3, 7, 22 supported single-crystal X-ray diffraction studies. density, heat formation, properties (detonation velocity detonation pressure) all range between 1.75 1.94 g cm–3, 0.73 to 2.44 kJ g–1, 7689 9139 m s–1, 23.3 31.5 GPa, respectively. are insensitive impact (>30 J) friction (>360 N). addition, 4, 6, 10, 14, 17, 21, 22, 23 show onset decomposition temperature (Td 238 397 °C) than benchmark RDX = 210 °C), HMX (279 HNS (318 °C). It is noteworthy that backbones greatly influence their physicochemical properties. Overall, study offers perspective nitrogen-rich explores relationship structure performance.

Language: Английский

Citations

59
Construction of p-nitropyrazole-1,3,4-triazole framework energetic compounds: towards a series of high-performance heat-resistant explosives DOI

Chengchuang Li,

Teng Zhu,

Caijin Lei

et al.

Journal of Materials Chemistry A, Journal Year: 2023, Volume and Issue: 11(23), P. 12043 - 12051

Published: Jan. 1, 2023

In this study, a series of explosives based on the DPT framework were synthesized. Among all compounds, DPTO, DPPT, DPBT and PBPT exhibit excellent thermal stabilities with T d over 300 °C, while their detonation velocity exceeds 8700 m s −1 .

Language: Английский

Citations

28
A zwitterionic fused-ring framework as a new platform for heat-resistant energetic materials DOI

Ruibing Lv,

Lan Jiang, Jinxin Wang

et al.

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(17), P. 10050 - 10058

Published: Jan. 1, 2024

A zwitterionic fused-ring based energetic material (ZDPT) was prepared. ZDPT has excellent thermal stability ( T d = 347 °C ) and great detonation velocity D 8390 m s −1 ), which endow with potential as a heat-resistant material.

Language: Английский

Citations

15
A new breakthrough in electrochemical synthesis of energetic materials: Constructing super heat-resistant explosives DOI

Yaqi Qin,

Feng Yang, Shuaijie Jiang

et al.

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 486, P. 149968 - 149968

Published: Feb. 28, 2024

Language: Английский

Citations

11
N-Acetonitrile functionalized 3-nitrotriazole: Precursor to nitrogen rich stable and insensitive energetic materials DOI Creative Commons
Prachi Bhatia,

Peddapothula Sahithi Priya,

Priyanka Das

et al.

Energetic Materials Frontiers, Journal Year: 2024, Volume and Issue: 5(1), P. 8 - 16

Published: Feb. 23, 2024

In the field of energetic materials, prime attention has been given to synthesis environmentally compatible materials having an adequate balance between energy and stability. For this purpose, nitrogen-rich heterocyclic rings have contributed as pivotal frameworks. Nitro-functionalized 1,2,4-triazoles profusely used a constituent for synthesizing high-performing (EMs) due their high nitrogen content, good thermal stability, modifiable sites via functionalization. Combination with different scaffold may provide opportunity accessible tailoring. work, in effort investigate potential 3-nitrotriazoles, its N-acetonitrile derivative 2 was synthesized, which further converted various explosophores. N-methylene-C bridged asymmetrically connected tetrazole (3) 1,2,4-oxadiazole (9 10) based EMs synthesized. Further tuning properties salt formation strategy employed compounds 4–7, 11 12. 1,2,4-oxadiazole-based compound 9 also confirmed X-ray diffraction analysis, 10 analyzed 15N NMR spectroscopy. Compounds 3, 4, 5, 7 exhibited stabilities were found be insensitive towards impact friction. 6, detonation performance comparable conventional explosive TATB.

Language: Английский

Citations

9
Highly Promising Primary Explosive: A Metal-Free, Fluoro-Substituted Azo-Triazole with Unmatched Safety and Performance DOI Creative Commons
Abhishek Kumar Yadav,

Sonali Kukreja,

Srinivas Dharavath

et al.

JACS Au, Journal Year: 2025, Volume and Issue: 5(2), P. 1031 - 1038

Published: Jan. 23, 2025

A primary explosive is a perfect chemical compound for starting ignition in military and commercial uses. Over the past century, quest lead-free, environmentally friendly explosives has been significant challenge long-standing goal. Here, an innovative organic explosive, (E)-1,2-bis(3-azido-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl)diazene (4), designed synthesized through straightforward three-step reaction from commercially available reagents. Importantly, this integrated two trifluoromethyl azido groups into N,N′-azo-1,2,4-triazole backbone to enhance performance safety. With combination, it meets stringent criteria safer, explosives: being metal perchlorate-free, possessing high density, excellent priming ability, unique sensitivities nonexplosive stimuli. It shows robust environmental resistance, good thermal stability, effective detonation also can be effectively initiated with laser. Moreover, test, 4 successfully detonated 500 mg of PETN ultralow minimum primer charge (MPC) 40 mg, similar traditional LA (MPC: mg) outperforming metal-free ICM-103 60 DDNP 70 mg). The power, combined its synthesis, cost-effectiveness, easy large-scale manufacturing, makes superior alternative currently used such as lead azide (LA) diazodinitrophenol (DDNP).

Language: Английский

Citations

1
Challenging the limits of the oxygen balance of a pyrazole ring DOI
Wenjin Zhang, Yiling Yang,

Yuchuan Wang

et al.

Chemical Engineering Journal, Journal Year: 2022, Volume and Issue: 451, P. 138609 - 138609

Published: Aug. 12, 2022

Language: Английский

Citations

34
Nitrogen-rich tetracyclic-based heterocyclic energetic materials DOI Creative Commons
Jie Tang, Hongwei Yang,

Guang-bin Cheng

et al.

Energetic Materials Frontiers, Journal Year: 2023, Volume and Issue: 4(2), P. 110 - 122

Published: May 18, 2023

This review provides numerous studies on nitrogen-rich tetracyclic-based heterocyclic energetic materials including oxadiazole, tetrazole, triazole, pyrazole, imidazole and tetrazine. The article mainly describes the construction method of skeleton, explosive modification, properties tetracyclic materials. structure-property relationship was obtained by comparing a series Finally, authors summarize synthesis laws skeletons, which reference for development in future.

Language: Английский

Citations

17