Elucidation of the influence of trinitro-diazinotriazine isomerism on the energetic properties and stability: Insights from DFT approach DOI

Kalpana Sharma,

Rimpi Devi, Vikas D. Ghule

и другие.

Computational and Theoretical Chemistry, Год журнала: 2024, Номер unknown, С. 114931 - 114931

Опубликована: Окт. 1, 2024

Язык: Английский

A new nitrate-based energetic molecular perovskite as a modern edition of black powder DOI
Shao‐Li Chen, Yu Shang, Jun Jiang

и другие.

Energetic Materials Frontiers, Год журнала: 2022, Номер 3(3), С. 122 - 127

Опубликована: Июль 16, 2022

Язык: Английский

Процитировано

20

Advancing thermal stability through positional pyrazole isomerization: synthesis and characterization of 2’-(1H-pyrazol-4-yl)-1H,2’H-5,5’-bistetrazole and its energetic derivatives DOI Creative Commons
Jing Liu,

Yaqun Dong,

Miao Li

и другие.

Energetic Materials Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0

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

и другие.

Propellants Explosives Pyrotechnics, Год журнала: 2025, Номер unknown

Опубликована: Фев. 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).

Язык: Английский

Процитировано

0

Structural Control of Energetic Triaminoguanidine Nitrate Polymer Nanostructures for Reduced Thermal Reactivity DOI
Xue-Xue Zhang, Zhihua Xue,

Jun-Lian Hao

и другие.

ACS Applied Nano Materials, Год журнала: 2023, Номер 6(19), С. 17890 - 17901

Опубликована: Сен. 15, 2023

A group of 2D nitrogen-rich nanopolymers has been synthesized by the cross-linking reaction triaminoguanidine nitrate (TAGN) with glyoxal at various designated experimental conditions. These could be used as ligands insensitive energetic complexes well desensitizing agents nitramines. It is quite important to investigate structural dependence this material on its thermal reactivity. The results showed that obtained polymer so-called TAGP a nanolayered network-type structure diameter roughly 10 nm scale defects. In particular, samples higher molecular weight increasing temperature and TAGN concentration. worth noting nitramine crystals constrained layers have energy density. Significantly, control activation (Ea) kinetic models for can achieved adjusting Ea resulting decreases increase in their Specifically, from TAGN/DMSO solution lowest concentration exhibits highest value 134.1 kJ·mol–1, which corresponds F1 decomposition model. Conversely, significantly lower only 81.0 following an A2 intermediate concentrations conform random chain scission (L2)

Язык: Английский

Процитировано

6

Highly energetic N-cyano-substituted CL-20 analogues: challenging the stability limits of polynitro hexaazaisowurtzitanes DOI
Vladimir V. Parakhin,

G. V. Pokhvisneva,

N. I. Shlykova

и другие.

Dalton Transactions, Год журнала: 2024, Номер 53(13), С. 6100 - 6111

Опубликована: Янв. 1, 2024

Novel energetic cyano derivatives of polynitro hexaazaisowurtzitanes surpass the benchmark CL-20 in energy content, as well frictional and thermal stability.

Язык: Английский

Процитировано

2

A positional isomer of LLM-116: N—NO2 moiety enhancing the laser ignition combustion performance of nitrogen-rich energetic materials DOI
Yalin Yang,

Shi Huang,

Bo Yang

и другие.

Combustion and Flame, Год журнала: 2024, Номер 265, С. 113507 - 113507

Опубликована: Май 11, 2024

Язык: Английский

Процитировано

2

Metal-free synthesis of secondary amides using N-Boc-O-tosylhydroxylamine as nitrogen source via Beckmann rearrangement DOI
Jawahar L. Jat,

Puneet Kumar,

Saumya Verma

и другие.

New Journal of Chemistry, Год журнала: 2022, Номер 46(31), С. 14782 - 14785

Опубликована: Янв. 1, 2022

An efficient methodology for the direct synthesis of secondary amides from ketones has been developed by using N -Boc- O -tosylhydroxylamine (TsONHBoc).

Язык: Английский

Процитировано

10

Alleviating the stability–performance contradiction of cage-like high-energy-density materials by a backbone-collapse and branch-heterolysis competition mechanism DOI
Qingguan Song, Lei Zhang, Zeyao Mo

и другие.

Physical Chemistry Chemical Physics, Год журнала: 2022, Номер 24(32), С. 19252 - 19262

Опубликована: Янв. 1, 2022

Key role of cage-like conformations in alleviating the stability–performance contradiction HEDMs.

Язык: Английский

Процитировано

9

Anions Containing Tripoid Conjugated N4− System: Salts of 5-(Substituted Amino)-[1,2,3]triazolo[4,5-c][1,2,5]oxadiazol-5-ium-4-ides, as well as Their Synthesis, Structure, and Thermal Stability DOI Creative Commons
Alexey A. Voronin, S. P. Balabanova, Ivan V. Fedyanin

и другие.

Molecules, Год журнала: 2022, Номер 27(19), С. 6287 - 6287

Опубликована: Сен. 23, 2022

A strategy for the synthesis of 5-((2-cyanoethyl)-X-amino)-[1,2,3]triazolo[4,5-c][1,2,5]oxadiazol-5-ium-4-ides (X = H; CH2CH2CN; NO2 (4a); CN (4b); CO2Et (4c)) starting from 3-amino-4-azido-1,2,5-oxadiazole was developed. The key step in this is intramolecular thermolytic cyclization azido group and bis(2-cyanoethyl)triazene group. Removal 2-cyanoethyl protecting amides 4a-c gave potassium salt corresponding nitramide sodium salts cyano- ethoxycarbonylamide. structure thermal stability synthesized compounds were studied experimentally using multinuclear NMR spectroscopy, X-ray crystallography, thermogravimetry, differential scanning calorimetry.

Язык: Английский

Процитировано

9

Why does the cyclic pentazolate anion fail to undergo N-oxidization in oxone solution? DOI
Ze Xu, Shuaijie Jiang,

Tianyang Hou

и другие.

New Journal of Chemistry, Год журнала: 2023, Номер 47(12), С. 5616 - 5620

Опубликована: Янв. 1, 2023

The cyclo-pentazolate anion failed to be oxidized using oxone. How can this realized?

Язык: Английский

Процитировано

3