Crystal Growth and Design p. 6150 - 6154 (2018)
Update date:2022-08-28
Topics:
Wang, Qian
Shao, Yanli
Lu, Ming
It is desirable to consider crystal engineering in the research of energetic materials. Herein, we report the synthesis, structure, and energetic properties of a promising explosive, 1,2-bis(3-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl)diazene (5). Based on the single-crystal diffraction data, 5 is nearly coplanar and features face-to-face and wavelike crystal stackings, thereby exhibiting an excellent density of 1.92 g cm-3. Meanwhile, the enthalpy of 5 is as high as 962.4 kJ/mol owing to its extensive high-energy N-N, C-N, and N-O bonds. Compound 5 featuring such a characteristic demonstrates high thermal stability (Td = 256 °C), good mechanical sensitivity (IS, 18 J; FS, 220 N), and superior detonation performance (D, 9240 m s-1; P, 37.5 GPa). The combination of advanced performance and desirable security make it a potential replacement for the commonly used explosives RDX and HMX.
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