Dicationic Methylene‐Bridged Bis(1,2,4‐Triazolium): Construction of Thermally Stable and Insensitive Energetic Salts DOI

Tianlong Ji,

Xiaoyan Jiang, Jin Xiong

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(38)

Published: Oct. 1, 2024

Abstract A thermally stable and high nitrogen content energetic cation N , N' ‐methylene‐bis(3,4,5‐triamino‐1,2,4‐triazolium) ( MTAT = 69.38%, Δ H f 1959.07 kJ/mol) has been used as a building block for preparing new family of salts. Compounds 1 4 were characterized by infrared multinuclear NMR spectra. Structural confirmation four salts – ) was supported single‐crystal X‐ray diffraction. Theoretical calculations performed to calculate the heats formation detonation performance using Gaussian 09 EXPLO5 v6.05 programs, respectively. The impact friction sensitivity COMPOUNDS 2 measured BAM standards. Based on experimental theoretical results, two 3 featuring novel framework exhibited favorable densities ranging from 1.751 1.809 g cm − at 298 K, excellent thermal stability T d : 250–257 °C), acceptable D 8001–8097 m s −1 P 23.3–26.7 GPa), good (IS: 18–40 J, FS: 240–360 N).

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

14
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
N-Methylene-C-Linked Nitropyrazoles and 1,2,4-Triazolone-3-one: Thermally Stable Energetic Materials with Reduced Sensitivity DOI
Krishna Pandey, Priyanka Das,

Meera Khatri

et al.

Dalton Transactions, Journal Year: 2024, Volume and Issue: 53(42), P. 17179 - 17189

Published: Jan. 1, 2024

A family of new asymmetric N -methylene-C linked nitropyrazoles and 1,2,4-triazol-3-one based thermally stable energetic materials with reduced sensitivity has been synthesized. Background image via Canva.

Language: Английский

Citations

4
N‐Alkylation of 4‐Hydroxy‐3,5‐Dinitropyrazole: A Facile Route for the Synthesis of Insensitive Energetic Materials DOI Open Access
Prachi Bhatia, Priyanka Das, Dheeraj Kumar

et al.

Propellants Explosives Pyrotechnics, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 4, 2025

ABSTRACT Behind the synthesis of any new high‐energy density material is objective to achieve equilibrium between energy and stability, which becomes laborious because their adversarial nature. Nitropyrazoles, with viable syntheses easy modifiability, have been adopted typically as backbones this goal. However, acidic nature pyrazole N H in nitropyrazoles limits usefulness despite exhibiting appealing characteristics. 4‐Hydroxy‐3,5‐dinitropyrazole (HODNP) an interesting skeleton presence hydroxy functionality two nitro groups, not only provides additional oxygen content for better output but also possesses quality strong hydrogen bonding interactions tuning properties via salt formation. N‐alkylation most straightforward technique protection unwanted proton, addition making them more physically stable. In work, we synthesized ‐methylated , N’ ‐ethylene‐bridged derivatives ( 2 7 ) HODNP. Mono dicationic salts 3 ‐ 6 8 11 were boost performance further. N‐methylated neutral compound its ammonium confirmed through 15 NMR analysis, was single‐crystal analysis. All compounds showed excellent physical stability (IS >40 J, FS > 360 N), good thermal (T d 180°C). The detonation characteristics found be similar ones 1,3,5‐triamino‐2,4,6‐trinitrobenzene (D v = 7704–8172 m/s, p 22.4–27.3 GPa).

Language: Английский

Citations

0
Engaging Two Anions with Single Cation in Energetic Salts: Approach for Optimization of Oxygen Balance in Energetic Materials DOI
Prachi Bhatia, Priyanka Das, Dheeraj Kumar

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(47), P. 64846 - 64857

Published: Nov. 12, 2024

The field of high energy density materials faces a long-standing challenge to achieve an optimum balance between and stability. While energetic salt formation via combination oxygen- nitrogen-rich anions (providing energy) with nitrogen-containing cations stability) has been proven approach for improving physical stability, constraints such as lowering performance remain unresolved. This can be addressed by utilizing oxygen-containing formation. However, this is rarely explored because its synthesis challenging. In work, we have designed oxygen-rich cationic precursor

Language: Английский

Citations

3
Benzofuroxan‐Based Energetic Materials with Alternating Nitro and Hydroxyl Groups: Synthesis, Characterization, and Energetic Properties DOI Open Access

Atharva Tiwari,

Krishna Pandey, Priyanka Das

et al.

European Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 9, 2024

Abstract Due to its good stability, density and oxygen balance, the benzofuroxan fused ring framework has attracted particular attention in field of high energy materials. The planar structure facilitates straightforward derivatization with explosophores contributes molecular stability. In this work, a scaffold was utilized develop highly dense energetic material, namely 5,7‐dihydroxy‐4,6‐dinitrobenzo[c][1,2,5]oxadiazole 1‐oxide ( DHDNBF ). successive inclusion like nitro (−NO 2 ) oxidative functionality hydroxyl (−OH) on resulted an impressive (ρ=1.91 g cm −3 positive balance (6.20 %) Furthermore, hydroxy groups enable formation dicationic salts 3 – 7 , contributing additional modifications overall performance. Energetic 4 5 exhibit significantly higher densities ranging from 1.84 1.87 possess favorable approaching zero or equal zero. A marked improvement thermal stabilities observed all compared their neutral counterparts, . (D v =8459 m s −1 P=32.10 GPa) =8539 P=30.37 performance, comparable that well‐known explosives such as LLM‐105 =8560 P=33.4 GPa). Overall, characteristics make them potential candidates for use benzofuroxan‐based secondary primary explosives, respectively, various military civilian applications.

Language: Английский

Citations

2
Dicationic Methylene‐Bridged Bis(1,2,4‐Triazolium): Construction of Thermally Stable and Insensitive Energetic Salts DOI

Tianlong Ji,

Xiaoyan Jiang, Jin Xiong

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(38)

Published: Oct. 1, 2024

Abstract A thermally stable and high nitrogen content energetic cation N , N' ‐methylene‐bis(3,4,5‐triamino‐1,2,4‐triazolium) ( MTAT = 69.38%, Δ H f 1959.07 kJ/mol) has been used as a building block for preparing new family of salts. Compounds 1 4 were characterized by infrared multinuclear NMR spectra. Structural confirmation four salts – ) was supported single‐crystal X‐ray diffraction. Theoretical calculations performed to calculate the heats formation detonation performance using Gaussian 09 EXPLO5 v6.05 programs, respectively. The impact friction sensitivity COMPOUNDS 2 measured BAM standards. Based on experimental theoretical results, two 3 featuring novel framework exhibited favorable densities ranging from 1.751 1.809 g cm − at 298 K, excellent thermal stability T d : 250–257 °C), acceptable D 8001–8097 m s −1 P 23.3–26.7 GPa), good (IS: 18–40 J, FS: 240–360 N).

Language: Английский

Citations

0