Energetic derivatives of 3,3′,5,5′-tetranitro-4,4′-bipyrazole (TNBPz): Synthesis, characterization and properties

Ivan Gospodinov; Домасевич, Костянтин Валентинович; Cornelia C. Unger; Maximilian Benz; Jörg Stierstorfer; Thomas M. Klapötke

doi:10.1016/j.fpc.2023.04.005

Energetic derivatives of 3,3′,5,5′-tetranitro-4,4′-bipyrazole (TNBPz): Synthesis, characterization and properties

Тип публікації :

Стаття

Дата випуску :

2024

Автор(и) :

Ivan Gospodinov

Домасевич, Костянтин Валентинович

Хімічний факультет Київського національного університету імені Тараса Шевченка

Cornelia C. Unger

Maximilian Benz

Jörg Stierstorfer

Thomas M. Klapötke

Мова основного тексту :

Ukrainian

eKNUTSHIR URL :

https://ir.library.knu.ua/handle/15071834/5209

DOI :

10.1016/j.fpc.2023.04.005

Журнал :

FirePhysChem

Том :

4

Випуск :

1

ISSN :

2667-1344

Цитування :

[APA 7] Ivan, G., Домасевич, К. В., Cornelia, C. U., Maximilian, B., Jörg, S., & Thomas, M. K. (2024). Energetic derivatives of 3,3′,5,5′-tetranitro-4,4′-bipyrazole (TNBPz): Synthesis, characterization and properties. FirePhysChem, 4(1). https://doi.org/10.1016/j.fpc.2023.04.005

[ДСТУ] Energetic derivatives of 3,3′,5,5′-tetranitro-4,4′-bipyrazole (TNBPz): Synthesis, characterization and properties / G. Ivan та ін. FirePhysChem. 2024. Т. 4, № 1. DOI: 10.1016/j.fpc.2023.04.005 (дата звернення: 25.07.2026).

3,3‘,5,5‘-Tetranitro-4,4‘-bipyrazole monohydrate (TNBPz, 1⋅H2O) is an excellent precursor for the synthesis of new energetic materials (2–12). Several nitrogen-rich salts (e.g. guanidinium, aminoguanidinium, hydrazinium, ammonium and hydroxylammonium) were prepared from 1⋅H2O by neutralization reactions. In addition, the N-methylation and N-amination of compound TNBPz was investigated and is reported. All new synthesized energetic materials were fully characterized by NMR (1H, 13C, 14N, and 15N) spectroscopy, infrared spectroscopy, differential thermal analysis (DTA) and elemental analysis. Compounds 2, 4–8 and 10 were characterized with single crystal X-ray diffraction. The heats of formation for compounds 2, 4–6, 8, 11 and 12 were calculated using the atomization method based on CBS-4 M enthalpies. Several detonation parameters, such as detonation pressure, velocity and energy, were calculated by using the X-ray densities and the calculated standard molar enthalpies of formation. The sensitivities of all energetic materials toward external stimuli were tested according to the BAM standards. In addition, the toxicity toward vibrio fischeri bacteria of few energetic salts (3 and 4) is reported.

Ключові слова :

Pyrazoles Explosives Energetic materials Sensitivity Structure elucidation

Галузі знань та спеціальності :

10 Природничі науки

Галузі науки і техніки (FOS) :

Природничі науки

Файл(и) :

Завантажити

Формат :

Adobe PDF

Розмір :

1.45 MB

Контрольна сума :

(MD5):47f17e2a030f72be2920692ad573d215

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