Tuning energetic performance via isomerism: Trinitro 3,5-di(pyrazolyl)-1,2,4-oxadiazole isomers

Tuning energetic performance via isomerism: Trinitro 3,5-di(pyrazolyl)-1,2,4-oxadiazole isomers Научная публикация

Журнал

FirePhysChem
ISSN: 2667-1344

Вых. Данные

Год: 2026, DOI: 10.1016/j.fpc.2026.04.004

Ключевые слова

Nitropyrazoles; 1,2,4-oxadiazole; Energetic isomers; Positional isomerism; Detonation performance

Авторы

Dalinger Igor L. ¹ , Khoranyan Tigran E. ¹ , Vatsadze Irina A. ¹ , Suponitsky Kyrill Yu. ¹ , Pivkina Alla N. ² , Sheremetev Aleksei B. ¹

Организации

1	Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences
2	Semenov Federal Research Centre for Chemical Physics, Russian Academy of Sciences

A series of six isomers was synthesized with three nitro groups at various positions on the 3,5-di(pyrazolyl)- 1,2,4-oxadiazole framework, providing a representative set for evaluating the effects of positional isomerism on physicochemical properties and performance. These isomers were thoroughly characterized by spectral data. X-ray crystallographic analysis of two isomers was also performed. The physicochemical properties of the isomers, such as density, thermal behavior, enthalpy of formation, and sensitivity towards impact and friction, were compared. The detonation properties were evaluated using the PILEM code. Based on physiochemical properties (density, thermal stability, and sensitivity) and the calculated detonation properties, compound 8 was found to have the best performance among the energetic isomers of this study.

Dalinger I.L. , Khoranyan T.E. , Vatsadze I.A. , Suponitsky K.Y. , Pivkina A.N. , Sheremetev A.B.
Tuning energetic performance via isomerism: Trinitro 3,5-di(pyrazolyl)-1,2,4-oxadiazole isomers
FirePhysChem. 2026. DOI: 10.1016/j.fpc.2026.04.004 OpenAlex

Поступила в редакцию:	12 мар. 2026 г.
Принята к публикации:	17 апр. 2026 г.
Опубликована в печати:	20 апр. 2026 г.

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