Multisubstituted Imidazolo[4,5-d]pyridazine Fused Ring System Resulting from Nitroamine–Nitroimine Tautomerism

Organic Letters, Год журнала: 2021, Номер 23(20), С. 7860 - 7864

Опубликована: Сен. 30, 2021

A series of multisubstituted imidazolo[4,5-d]pyridazine fused ring compounds was synthesized in which nitroamine–nitroimine tautomerism is exhibited. The electrostatic potential indicates that the nitroimino group has lowest negative value, second only to nitro group, culminating nitroamino area, highest positive value. In addition, a strong hydrogen bond system arises from newly formed tautomer suggests more stable than its analogue.

Язык: Английский

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Highly Selective Nitroamino Isomerization Guided by Proton Transport Dynamics: Full-Nitroamino Imidazole[4,5-d]pyridazine Fused-Ring System

ACS Applied Materials & Interfaces, Год журнала: 2022, Номер 14(47), С. 52971 - 52978

Опубликована: Ноя. 7, 2022

Due to the advantage of hydrogen bond system formed by nitroamino isomerization, calculations transfer in reported explosives, proton transport dynamics was first proposed predict isomerization energetic materials. With calculated results zero-point energy, full-nitroamino fused materials, 2,4-nitroamino-7-nitroimino-1,5-dihydro-4H-imidazolo[4,5-d]pyridazine (FNPI-1) and 2,2',7,7'-tetranitromino-4,4'-azo-imidazolo[4,5-d]pyridazine (FNPI-2) were designed successfully synthesized. The highly selective neutral compound FNPI-1 is shown X-ray diffraction. After occurs, intermolecular bonds will greatly promote tight stacking, which enhances density thus a series comprehensive properties theoretical energy explain perfectly selectivity between groups fused-ring skeleton for FNPI-1. atom materials can be accurately predicted following dynamics, provides computational bases new ideas efficient design fully nitroamino-based explosives.

Язык: Английский

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A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts

CrystEngComm, Год журнала: 2023, Номер 25(21), С. 3181 - 3188

Опубликована: Янв. 1, 2023

The energetic inner salts of π–π stacking and their ionic show high thermal stability ( T d ≥ 238 °C), insensitivity (FS 360 N, IS 40 J), good detonation performance D 7757 m s −1 , P 24.1 GPa).

Язык: Английский

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N₂H₆²⁺ Energetic Salts: A Promising Strategy for Increasing the Density and Balance Safety and Energy of Explosives

Crystal Growth & Design, Год журнала: 2023, Номер 23(6), С. 4499 - 4505

Опубликована: Май 16, 2023

The conflict between energy characteristics and security of explosives makes the synthesis high-energy low-sensitivity always a great challenge. N2H6BTO is material with higher density thermal stability than parent acceptable mechanical sensitivity. Three energetic ionic salts, N2H6(AFTO)2, N2H5TzTO, N2H6(TzTO)2, were prepared by adjusting reaction ratio molecule hydrazine hydrate. Consistent N2H6BTO, N2H62+ salts increased compared to molecules. Moreover, show excellent (Td ≥ 255 °C) high explosive performance (D 9037 m·s–1, P 28.1GPa) are insensitive (IS 35 J, FS 360 N). salt expected be an effective simple strategy improve materials adjust explosives.

Язык: Английский

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Obtaining superior high-density fused-ring energetic materials via the introduction of carbonyl, o-NH₂–NO₂ and nitroamino groups

Dalton Transactions, Год журнала: 2024, Номер 53(9), С. 4035 - 4040

Опубликована: Янв. 1, 2024

Two advanced energetic materials were synthesized via introducing carbonyl and o -NH 2 –NO groups into fused-ring compounds. A comparative study has demonstrated that the density detonation performance of these could be effectively improved.

Язык: Английский

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Energetic azine N-oxides: State-of-the-art achievements in the synthesis and performance

Chemical Engineering Journal, Год журнала: 2024, Номер unknown, С. 158859 - 158859

Опубликована: Дек. 1, 2024

Язык: Английский

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[1,2,4]Triazolo[1,5-d][1,2,4]oxadiazole ring system – A novel building block for creating energetic compounds

Chemical Engineering Journal, Год журнала: 2022, Номер 444, С. 136708 - 136708

Опубликована: Апрель 30, 2022

Язык: Английский

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Crystal engineering with energetic picric acid halogen-based salts: Promising properties of a new family of insensitive materials

Journal of Molecular Structure, Год журнала: 2022, Номер 1254, С. 132381 - 132381

Опубликована: Янв. 9, 2022

Язык: Английский

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Efficient synthesis of the promising energetic material precursor 4-azido-3,5-dinitro-1H-pyrazole with high detonation performance

Journal of Molecular Structure, Год журнала: 2022, Номер 1267, С. 133526 - 133526

Опубликована: Июнь 18, 2022

Язык: Английский

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Thermal studies of novel heat-resistant 3,6-dinitropyrazolo[4,3-c]pyrazole-based energetic materials

Journal of Analytical and Applied Pyrolysis, Год журнала: 2023, Номер 169, С. 105866 - 105866

Опубликована: Янв. 1, 2023

Язык: Английский

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