3,4,5-Trinitro-1-(nitromethyl)-1H-pyrazole (TNNMP): a perchlorate free high energy density oxidizer with high thermal stability DOI
Dheeraj Kumar, Gregory H. Imler,

Damon A. Parrish

et al.

Journal of Materials Chemistry A, Journal Year: 2017, Volume and Issue: 5(21), P. 10437 - 10441

Published: Jan. 1, 2017

A rare high energy density oxidizer with excellent thermal stability along good oxygen balance and energetic properties was synthesized fully characterized.

Language: Английский

A C–C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance DOI
Yongxing Tang, Chunlin He, Gregory H. Imler

et al.

Chemical Communications, Journal Year: 2018, Volume and Issue: 54(75), P. 10566 - 10569

Published: Jan. 1, 2018

A C–C bonded 5,6-fused bicyclic energetic molecule is presented and shows promising properties as a heat-resistant explosive candidate.

Language: Английский

Citations

65
Construction of Polynitro Compounds as High-Performance Oxidizers via a Two-Step Nitration of Various Functional Groups DOI
Gang Zhao, Dheeraj Kumar, Ping Yin

et al.

Organic Letters, Journal Year: 2019, Volume and Issue: 21(4), P. 1073 - 1077

Published: Jan. 23, 2019

An oxygen-rich energetic compound, 1,3-bis(trinitromethyl)-1,2,4-triazole (13), was obtained by a two-step nitration and found to have an excellent crystal density of 1.90 g/cm3 confirmed X-ray single-crystal diffraction. This highly dense material, as green oxidizer, features attractive positive oxygen balance, acceptable sensitivity, good enthalpy formation, making it competitive replacement for AP.

Language: Английский

Citations

58
Energetic Derivatives of 8-Nitropyrazolo[1,5-a][1,3,5]triazine-2,4,7-triamine: Achieving Balanced Explosives by Fusing Pyrazole with Triazine DOI
Jinchao Ma, Yongxing Tang,

Guangbin Cheng

et al.

Organic Letters, Journal Year: 2020, Volume and Issue: 22(4), P. 1321 - 1325

Published: Jan. 30, 2020

Using the triazine ring as stabilizing factor, a series of energy-safety balanced fused compounds were successfully studied. Compounds 1, 7, and 9·H2O further confirmed by single-crystal X-ray diffraction analysis. The detonation performance safety parameters associated with impact friction sensitivities investigated using EXPLO5 (version 6.01) BAM methods, respectively. Based on their good properties high thermal mechanical stabilities, these materials are potentially insensitive explosives.

Language: Английский

Citations

51
Polynitro-functionalized 4-phenyl-1H-pyrazoles as heat-resistant explosives DOI
Krishna Pandey, Prachi Bhatia,

Khwaja Mohammad

et al.

Organic & Biomolecular Chemistry, Journal Year: 2023, Volume and Issue: 21(32), P. 6604 - 6616

Published: Jan. 1, 2023

This work demonstrates the synthesis, characterization, and energetic properties’ evaluation of polynitro-functionalized 4-phenyl-1 H -pyrazole-based heat-resistant explosives.

Language: Английский

Citations

21
Thermal stability of azole-rich energetic compounds: their structure, density, enthalpy of formation and energetic properties DOI
Xiangyan Miao, Xinbo Yang, Yuchuan Li

et al.

Physical Chemistry Chemical Physics, Journal Year: 2023, Volume and Issue: 25(28), P. 18523 - 18544

Published: Jan. 1, 2023

Increasing the strength and number of hydrogen bonds azoles expanding π–π stacking area are key factors to improve thermal stability, which provides a valuable way for developing energetic materials with higher energy stability.

Language: Английский

Citations

19
Azido azole-1,3,4-triazine fused energetic materials: A bioinspired strategy for tuning thermal stability and sensitivity of metal-free primary explosives via hierarchical hydrogen-bond self-assembly DOI
Lei Yang, Wei Du, Jing Feng

et al.

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 459, P. 141689 - 141689

Published: Feb. 2, 2023

Language: Английский

Citations

17
Taming of 4-azido-3,5-dinitropyrazole based energetic materials DOI Creative Commons
Priyanka Das, Prachi Bhatia, Krishna Pandey

et al.

Materials Advances, Journal Year: 2023, Volume and Issue: 5(1), P. 171 - 182

Published: Nov. 1, 2023

Energetic and physicochemical properties of 4-azido-3,5-dinitropyrazole based energetic compounds were fine-tuned by connecting it to 5-nitramino-1,2,4-oxadiazole moieties via N -methylene- C bridges salt formation strategy.

Language: Английский

Citations

17
Insights into Structural and Energetic Features of 3,5-Dinitropyrazole-4-carboxylic Acid and Its Energetic Salts DOI
Krishna Pandey, Priyanka Das, Prachi Bhatia

et al.

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: 24(16), P. 6790 - 6799

Published: July 31, 2024

The dominance of nitro pyrazole-based explosives in the recently reported high-performing energetic materials motivated us to comprehensively investigate energy–stability correlation among different compounds based on 3,5-dinitro pyrazoles employing various computational methods. We also explored and physicochemical properties overlooked compound 3,5-dinitropyrazole-4-carboxylic acid (CDNP). This study revealed that CDNP exhibits highest thermal stability 4-substituted-3,5-dinitropyrazoles, combined with an acceptable performance. These characteristics are attributed its layered packing, strong intermolecular interactions, carbonyl bonds. Furthermore, dicationic salt formation further allowed fine-tune overall performance stability. dihydroxylammonium (5) shows best performance, comparable well-known traditional explosive TATB, good low sensitivity toward impact friction.

Language: Английский

Citations

8
Time for mixing: Mixed dicationic energetic salts based on methylene bridged 4-hydroxy-3,5-dinitropyrazole and tetrazole for tunable performance DOI Creative Commons
Prachi Bhatia, Vikas D. Ghule, Dheeraj Kumar

et al.

Energetic Materials Frontiers, Journal Year: 2024, Volume and Issue: 5(2), P. 105 - 111

Published: May 14, 2024

Various types of materials have been explored in the pursuit high energy density (HEDMs) that balanced and stability. Among them, energetic salts show numerous advantages, such as lower vapor pressures, physical stabilities, opportunity for favourable tuning by careful selection cations/anions. Nitrogen-rich bases are generally used cations salt formation. While synthesis with larger lowers sensitivity, smaller aid better performance. A combination both same ionic moieties might help formation a superior explosive. In this work, facile route mixed dicationic based on 1-((1H-tetrazol-5-yl)methyl)-3,5-dinitro-1H-pyrazol-4-ol (compound 1) has various combinations bigger (compounds 4-10). All synthesized showed positive heats formation, performance comparable to TATB, excellent stability towards impact friction, acceptable thermal stabilities. This improved technique will provide an additional option fine-tuning properties HEDMs facilitate exploring role overall compounds.

Language: Английский

Citations

7
Assembly of Nitrofurazan and Nitrofuroxan Frameworks for High‐Performance Energetic Materials DOI
Леонид Л. Ферштат, I. V. Ovchinnikov,

Маргарита А. Епишина

et al.

ChemPlusChem, Journal Year: 2017, Volume and Issue: 82(11), P. 1315 - 1319

Published: Aug. 14, 2017

The design of novel energetic materials with improved performance, optimized parameters, and environmental compatibility remains a challenging task. In this study, new high-energy based on isomeric dinitrobi-1,2,5-oxadiazole structures comprising nitrofurazan nitrofuroxan subunits were synthesized. Due to planarity strong noncovalent interactions, these display high density values as determined by single-crystal X-ray diffraction. thermal, impact, friction sensitivities both isomers are similar that nitroesters. Their detonation performance along the combined benefits density, heat formation, good oxygen balance make synthesized compounds promising explosives highly-energetic oxidizers.

Language: Английский

Citations

61