Pyrazole–Tetrazole Hybrid with Trinitromethyl, Fluorodinitromethyl, or (Difluoroamino)dinitromethyl Groups: High‐Performance Energetic Materials

Pyrazole–Tetrazole Hybrid with Trinitromethyl, Fluorodinitromethyl, or (Difluoroamino)dinitromethyl Groups: High‐Performance Energetic Materials Full article

Journal

Chemistry-An Asian Journal
ISSN: 1861-471X , E-ISSN: 1861-4728

Output data

Year: 2018, Volume: 13, Number: 9, Pages: 1165-1172 Pages count : 8 DOI: 10.1002/asia.201800214

Authors

Dalinger Igor L. ¹ , Kormanov Aleksandr V. ¹ , Suponitsky Kyrill Yu. ² , Muravyev Nikita V. ³ , Sheremetev Aleksei B. ¹

Affiliations

1	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 LeninskyProsp, Moscow, 119991 Russian Federation
2	A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., Moscow, 119991 Russian Federation
3	N. N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 4 Kosygina St, Moscow, 119991 Russian Federation

High-nitrogen-content compounds have attracted great scientific interest and technological importance because of their unique energy content, and they find diverse applications in many fields of science and technology. Understanding of structure–property relationship trends and how to modify them is of paramount importance for their further improvement. Herein, the installation of oxygen-rich modules, C(NO2)3, C(NO2)2F, or C(NO2)2NF2, into an endothermic framework, that is, the combination of a nitropyrazole unit and tetrazole ring, is used as a way to design novel energetic compounds. Density, oxygen balance, and enthalpy of formation are enhanced by the presence of these oxygen-containing units. The structures of all compounds were confirmed by XRD. For crystal packing analysis, it is proposed to use new criterion, ΔOED, that can serve as a measure of the tightness of molecular packing upon crystal formation. Overall, the materials show promising detonation and propulsion parameters.

Dalinger I.L. , Kormanov A.V. , Suponitsky K.Y. , Muravyev N.V. , Sheremetev A.B.
Pyrazole–Tetrazole Hybrid with Trinitromethyl, Fluorodinitromethyl, or (Difluoroamino)dinitromethyl Groups: High‐Performance Energetic Materials
Chemistry-An Asian Journal. 2018. V.13. N9. P.1165-1172. DOI: 10.1002/asia.201800214 WOS Scopus OpenAlex

≡ Web of science:	WOS:000431625200012
≡ Scopus:	2-s2.0-85044854620
≡ OpenAlex:	W2793160182