Single Step Synthesis of gem-Dinitro Methyl-1,2,4-triazole and Its Hydroxylamine Salt: An Alternative to the FOX-7 and Other Benchmark Explosives

Organic Letters, Год журнала: 2024, Номер 26(22), С. 4788 - 4792

Опубликована: Май 29, 2024

gem-Dinitro methyl based high-energy-density material 5-(dinitromethylene)-4,5-dihydro-1H-1,2,4-triazole (2) and its hydroxylamine salt (4) were synthesized for the first time in a single step characterized. Further, structure of 2 was confirmed by single-crystal X-ray diffraction (SCXRD) studies. Interestengly, both compounds show excellent density (> 1.83 g cm-3), detonation velocity 8700 m s–1), pressure 30 GPa) are insensitive toward mechanical stimuli such as impact friction sensitivity. Considering their synthetic fesibility balanced energetic performance, 4 future prospects potential next-generation materials replacenent many presently used benchmark high energy RDX, FOX-7 highly H-FOX.

Язык: Английский

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Polynitro 1,2,3-triazole energetic materials with excellent properties through the combination of hydrogen-rich cation and N-amino group

Energetic Materials Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Март 1, 2025

Язык: Английский

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The effective combination of tetrazoles, 1,2,4-triazole and dinitromethyl: A sensible strategy for energy and stability balance

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142109 - 142109

Опубликована: Март 1, 2025

Язык: Английский

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Stereochemical insights into functionalized triazoles: applications of NMR and quantum chemistry

Russian Chemical Reviews, Год журнала: 2025, Номер 94(4), С. RCR5160 - RCR5160

Опубликована: Апрель 1, 2025

The stereochemistry of tautomeric functionalized azoles is a challenge for theoretical research, since the correct interpretation chemical behaviour and biological activity these compounds depends on understanding factors that determine structural features relative stability their tautomers. Due to physicochemical properties, 1,2,3- 1,2,4-triazoles are most promising research objects in various fields ranging from medicine, bioorganic chemistry agrochemistry materials science. This review first in-depth analysis data structure stereochemical 1,2,3-triazoles (their carbaldehydes, carbaldehydoximes, barbiturates malononitriles), model analogues, as well related compounds, obtained by combined methods based multipulse multinuclear 1H, 13C, 15N 29Si NMR spectroscopy quantum calculations. <br> bibliography includes 320 references.

Язык: Английский

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Enthalpy of Formation of the Energetic Materials Possessing Dinitromethyl and Trinitromethyl Functional Groups: Combined Quantum Chemical Composite and Isodesmic Reaction Approach

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Май 21, 2025

Язык: Английский

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

ChemistrySelect, Год журнала: 2024, Номер 9(38)

Опубликована: Окт. 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).

Язык: Английский

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Constructing High-Performance and Stable Energetic Salts through Enhanced Conjugation and Increased Hydrogen Bonds

Energetic Materials Frontiers, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 1, 2024

Язык: Английский

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Lithium Ion Promoted the Formation of a Heat-Resistant Energetic Metal Salt with Dinitromethyl Functional Groups

Crystal Growth & Design, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 25, 2024

Язык: Английский

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