An Alliance of Polynitrogen Heterocycles: Novel Energetic Tetrazinedioxide-Hydroxytetrazole-Based Materials DOI Creative Commons
Dmitry M. Bystrov, Алла Н. Пивкина, Леонид Л. Ферштат

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(18), P. 5891 - 5891

Published: Sept. 11, 2022

Energetic materials constitute one of the most important subtypes functional used for various applications. A promising approach construction novel thermally stable high-energy is based on an assembly polynitrogen biheterocyclic scaffolds. Herein, we report design and synthesis a new series high-nitrogen energetic salts comprising C-C linked 6-aminotetrazinedioxide hydroxytetrazole frameworks. Synthesized were thoroughly characterized by IR multinuclear NMR spectroscopy, elemental analysis, single-crystal X-ray diffraction differential scanning calorimetry. As result vast amount formed intra- intermolecular hydrogen bonds, prepared ammonium amino-1,2,4-triazolium are have good densities 1.75-1.78 g·cm-3. All synthesized compounds show high detonation performance, reaching that benchmark RDX. At same time, as compared to RDX, investigated less friction sensitive due net bonds. Overall, reported represent perspective subclass secondary explosives unveil further opportunities next-generation materials.

Language: Английский

Energetic alkylnitramine-functionalized pentanitro hexaazaisowurtzitanes: towards advanced less sensitive CL-20 analogues DOI
Vladimir V. Parakhin,

G. V. Pokhvisneva,

T. V. Ternikova

et al.

Journal of Materials Chemistry A, Journal Year: 2021, Volume and Issue: 10(2), P. 818 - 828

Published: Dec. 1, 2021

Novel highly energetic components for rocket propellants based on polycyclic cage alkylnitramine compounds. Polynitro hexaazaisowurtzitanes with high performance and significantly lower sensitivity than CL-20.

Language: Английский

Citations

21

Impact of regioisomerism on unimolecular decomposition reactions of energetic materials: Quantum chemistry modeling of ICM-103 and NAPTO DOI
Zixuan Yang, Shuangfei Zhu, Le Zhang

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1239, P. 114722 - 114722

Published: July 16, 2024

Language: Английский

Citations

3

Low sensitive energetic material based on the combination of furoxan and 1,3,4-oxadiazole structures DOI Creative Commons

Lei Qian,

Hongwei Yang,

Hualin Xiong

et al.

Energetic Materials Frontiers, Journal Year: 2020, Volume and Issue: 1(2), P. 74 - 82

Published: Sept. 1, 2020

In this study, a new series of 3-amino-4-(5-amino-1,3,4-oxadiazole-yl) furoxan derivatives including neutral compounds and energetic salts were synthesized. Their physicochemical properties such as sensitivity, thermal behavior, investigated during the study. Additionally, to explain their structure-property relationship, quantum chemical calculations conducted, Hirshfeld surface analysis, noncovalent interaction electrostatic potential analysis. The crystal structures 2, 3a, 3b confirmed by using single-crystal X-ray diffraction. All these showed satisfactory detonation performance, with velocities ranging from 8430 ​m ​s−1 9258 pressures 30.1–37.5 ​GPa. These results comparable those commonly used secondary explosive RDX (8795 34.9 ​GPa, respectively), making explosives.

Language: Английский

Citations

22

Renaissance of dinitroazetidine: novel hybrid energetic boosters and oxidizers DOI
Egor S. Zhilin, Ivan V. Ananyev, Алла Н. Пивкина

et al.

Dalton Transactions, Journal Year: 2022, Volume and Issue: 51(37), P. 14088 - 14096

Published: Jan. 1, 2022

Nitrogen-oxygen organic materials constitute an important family of multipurpose high-energy materials. However, the preparation energetic boosters and oxidizers for various civil space technologies remains a challenging task such usually require special precautions fine tunability their functional properties. To find balance between energy safety while retaining oxidizing ability target materials, novel hybrid compounds comprising furoxan 3,3-dinitroazetidine scaffolds enriched with additional nitro groups were synthesized. The prepared 3-(3,3-dinitroazetidinoyl)-4-nitrofuroxan 3,3-dinitro-1-(2,2,2-trinitroethyl)azetidine have high nitrogen-oxygen contents (75-79%), positive oxygen to CO (up +10.3%) good experimental densities (1.75-1.80 g cm-3). A combination superior detonation performance (D = 8.3-8.5 km s-1 P 32-33 GPa) moderate mechanical sensitivity enables application potential these as booster explosives or oxidizers. Additionally, properties remain essentially competitive other oxygen-rich (pentaerythritol tetranitrate, ammonium dinitramide, tetranitratoethane). Hirshfeld surface calculations supported by framework plots also performed better understand relationship molecular structure stability/sensitivity. This work unveils directions in construction balanced applications.

Language: Английский

Citations

14

An Alliance of Polynitrogen Heterocycles: Novel Energetic Tetrazinedioxide-Hydroxytetrazole-Based Materials DOI Creative Commons
Dmitry M. Bystrov, Алла Н. Пивкина, Леонид Л. Ферштат

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(18), P. 5891 - 5891

Published: Sept. 11, 2022

Energetic materials constitute one of the most important subtypes functional used for various applications. A promising approach construction novel thermally stable high-energy is based on an assembly polynitrogen biheterocyclic scaffolds. Herein, we report design and synthesis a new series high-nitrogen energetic salts comprising C-C linked 6-aminotetrazinedioxide hydroxytetrazole frameworks. Synthesized were thoroughly characterized by IR multinuclear NMR spectroscopy, elemental analysis, single-crystal X-ray diffraction differential scanning calorimetry. As result vast amount formed intra- intermolecular hydrogen bonds, prepared ammonium amino-1,2,4-triazolium are have good densities 1.75-1.78 g·cm-3. All synthesized compounds show high detonation performance, reaching that benchmark RDX. At same time, as compared to RDX, investigated less friction sensitive due net bonds. Overall, reported represent perspective subclass secondary explosives unveil further opportunities next-generation materials.

Language: Английский

Citations

12