Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials DOI Creative Commons

Lianghong Xia,

Yanna Wang, Xiaoming Yang

et al.

RSC Advances, Journal Year: 2023, Volume and Issue: 13(32), P. 22549 - 22558

Published: Jan. 1, 2023

To seek new high energetic materials, N-methylene-C-bridged nitrogen-rich heterocycle 1-((4,5-diamino-4H-1,2,4-triazol-3-yl)methyl)-1H-1,2,4-triazol-3,5-diamine (DATMTDA) (2) was first synthesized, and two copper coordination compounds ([Cu12(OH)4(ClO4)4(H2O)4(DATMTDA)12](ClO4)16·12H2O (3) [Cu3(OH)(ClO4)(DATMTDA)3](ClO4)3(NO3) (4)) based on 2 were formed by introducing different anions. These characterized elemental analysis, IR spectroscopy single-crystal X-ray diffraction analysis. The crystal structures of 3 4 are similar crystallize in monoclinic systems with the P21/c space group, while central atoms show behaviors. However, structure is analogous to a three dimensional owing O atom OH-, forming coordinate bonds cations. NBO charge calculated using density functional theory understand its modes. Hirshfeld surface calculation reveals that have strong intermolecular interactions. thermal decomposition processes, non-isothermal kinetics, enthalpies formation sensitivities these investigated. By one NO3- compound replace ClO4- 3, shows lower peak temperature but sensitivity higher enthalpy than 3. complex possesses an outstanding catalytic effect for AP results illustrate possibility various anions into regulation materials.

Language: Английский

Zwitterionic Energetic Materials: Synthesis, Structural Diversity and Energetic Properties DOI
Prachi Bhatia, Krishna Pandey, Dheeraj Kumar

et al.

Chemistry - An Asian Journal, Journal Year: 2024, Volume and Issue: 19(17)

Published: June 10, 2024

Abstract Zwitterionic compounds are an emergent class of energetic materials and have gained synthetic interest many in the recent years. Due to their better packing efficiencies strong inter/intramolecular electrostatic interactions, they often ensue superior properties than salt analogues. A systematic review from perspective design, synthesis, physicochemical evaluation zwitterionic is presented. Depending on parent ring(s) used for synthesis type moieties bearing positive negative charges, different classes materials, such as primary explosives, secondary heat resistant oxidizers, etc., may result. The some also compared with analogous salts. This will encourage readers explore possibility designing new materials.

Language: Английский

Citations

13
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
Energetic compounds based on a new fused Bis[1,2,4]Triazolo[1,5-b;5′,1′-f]-1,2,4,5-Tetrazine DOI

Gennady F. Rudakov,

Valery P. Sinditskii,

I.A. Andreeva

et al.

Chemical Engineering Journal, Journal Year: 2022, Volume and Issue: 450, P. 138073 - 138073

Published: July 16, 2022

Language: Английский

Citations

23
Combination of N‐amino‐1,2,4‐triazole and 4‐hydroxy‐3,5‐dinitropyrazole for the synthesis of high performing explosives DOI
Prachi Bhatia,

Pooja Jangra,

Vikas D. Ghule

et al.

Journal of Heterocyclic Chemistry, Journal Year: 2024, Volume and Issue: 61(8), P. 1299 - 1305

Published: June 5, 2024

Abstract In an attempt to cultivate energy‐stability balance, a series of nitrogen and oxygen‐rich high energy density materials were synthesized based on N ‐substituted 4‐hydroxy‐3,5‐dinitropyrazole methylene‐linked ‐amino‐1,2,4‐bridges. The hydroxy substituent contributed oxygen content, hydrogen bonding, tunability via salt formation. On the other hand, triazole bridge delivered content thermal stability. All compounds characterized with multinuclear NMR, FTIR, HRMS, elemental analysis, their physicochemical energetic properties analyzed. Energetic 1 – 5 showed detonation performance adequate overall stabilities. Compound exhibited higher (1.84 g/cm 3 ) ( D v = 8103 m/s, P 26.9 GPa) in comparison its reported amino derivative.

Language: Английский

Citations

5
Approaching the Thermostability Limit of Nitrogen-Rich Heterocyclic Perchlorate-Based Energetic Materials DOI

Xiue Jiang,

Dangyue Yin,

Mingren Fan

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(37), P. 49434 - 49441

Published: Sept. 4, 2024

In recent years, driven by ever-increasing application of energetic materials in deep-seated mineral resource exploitation and aerospace engineering, the mining advanced safe with significant thermal stability has drawn widespread publicity. Here, a tricyclic bridged compound 2-amino-4,6-bis(3,5-diamino-4-nitropyrazol-1-yl)-1,3,5-triazine (

Language: Английский

Citations

5
Chemical design and characterization of cellulosic derivatives containing high-nitrogen functional groups: Towards the next generation of energetic biopolymers DOI Creative Commons
Ahmed Fouzi Tarchoun, Djalal Trache,

Thomas M. Klapötke

et al.

Defence Technology, Journal Year: 2021, Volume and Issue: 18(4), P. 537 - 546

Published: March 18, 2021

In this research, a promising class of insensitive and high-energy dense biopolymers, which contain nitrogen-rich 1H-tetrazol-1-yl acetate nitrate ester functional groups, was successfully synthesized through tetrazole derivatization nitration cellulose its micro-sized derivative (TNCN TCMCN). Their molecular structures, physicochemical properties, thermal behaviors, mechanical sensitivities detonation performances were studied compared to those the corresponding nitrocellulose nitrated (NCN CMCN). The developed energetic TNCN TCMCN exhibited character with excellent features such as density 1.710 g/cm3 1.726 g/cm3, nitrogen content 20.95% 22.59%, velocity 7552 m/s 7786 m/s, respectively, thereby demonstrate their potential applications new generation biopolymers substitute common NCN. Furthermore, results showed that designed chemical modified cellulosic displayed good stability multistep decomposition mechanism. These enrich future prospects for design cellulose-rich materials commence chapter in field.

Language: Английский

Citations

32
Potential energetic salts of 5,5′-methylenedi(4H-1,2,4-triazole-3,4-diamine) cation: Synthesis, characterization and detonation performance DOI Creative Commons
Ramling S. Mathpati, Abhishek Kumar Yadav, Vikas D. Ghule

et al.

Energetic Materials Frontiers, Journal Year: 2022, Volume and Issue: 3(2), P. 90 - 96

Published: Jan. 29, 2022

1,2,3-Triazole and 1,2,4-triazole have been vigorously used in energetic materials research. Among these two, has a widely backbone designing new with improved performance. This study showed the synthesis of nitrogen-enriched dianionic salts (3–6) based on methylene bridged 3,4-diamino-1,2,4-triazole combined nitrate, perchlorate, picrate, azide anions. Structures 5,5′-methylenedi(4H-1,2,4-triazole-3,4-diamine) its 4 5 were confirmed by single-crystal X-ray diffraction studies, showing strong hydrogen-bonding network owing to presence –NH2 groups, numerous oxygen nitrogen atoms structure. The DSC results indicate acceptable thermal stabilities observed decomposition temperatures over 180 °C. All compounds are dense (1.70–1.86 g cm−3) exhibit reasonable detonation velocities (7.49–8.99 km s−1) pressures (21.9–28.2 GPa). Interestingly, salt 6 possess velocity comparable that RDX. These properties illustrate incorporating bridge ring can effectively support progress mechanically insensitive thermally stable future

Language: Английский

Citations

20
Construction of zwitterionic 3D hydrogen-bonded networks: Exploring the upper-limit of thermal stability in ternary CHN-based energetic materials DOI
Zhe Wang, Qi Lai, Ning Ding

et al.

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 474, P. 145512 - 145512

Published: Aug. 19, 2023

Language: Английский

Citations

13
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

Citations

4
Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids DOI

Caijin Lei,

Hongwei Yang, Qinghua Zhang

et al.

Dalton Transactions, Journal Year: 2021, Volume and Issue: 50(40), P. 14462 - 14468

Published: Jan. 1, 2021

Two series of both nitrogen-rich and thermostable energetic materials as well their salts based on hetarenecarboxylic acids are now described. Among these new compounds, neutral compounds 3 10 have higher nitrogen contents (69.66% 63.05%) than salts, which suggests that they could be used green materials. In addition, compound shows a good decomposition temperature (Td = 281 °C), is close to TNT 295 °C). Nitrogen-rich salt 6 exhibits better integrated energetic-properties (D 8913 m s-1, IS 24 J, FS 320 N) RDX 8795 7.5 120 N).

Language: Английский

Citations

25