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Energetic furazan-triazole with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties

Abstract

The crystal stacking has significant implications for the properties of energetic materials, especially molecular stability. A series of furazan-triazole energetic compounds with diverse crystal stacking were synthesized through a facile procedure. All new compounds were characterized by NMR spectroscopy, IR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Single crystal X-ray analysis indicated that compounds 2a and 2c show face-to-face stacking while compounds 3 and 3a exhibit wavelike stacking as a result of planar furazan-triazole skeleton . Furthermore, on the basis of single-crystal data, noncovalent interactions were analyzed to comprehensively study their structure-property relationships. The compound 2b are highly stable, including a decomposition temperature of 324 °C, an impact sensitivity of > 40J, and friction sensitivity of > 360J, and thereby demonstrate the potential applications as a heat-resistant and insensitive explosive. Whereas 3b with its superior detonation velocity (9114 m s-1) and pressure (35.8 GPa) and favorable stability (Td = 226 °C, IS = 20 J, FS = 280 N), exhibits performances superior to those of RDX. This work put insights on the combination of molecular design and crystal stacking for generating new energetic materials.

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Supplementary files

Publication details

The article was received on 23 Aug 2019, accepted on 10 Sep 2019 and first published on 10 Sep 2019


Article type: Paper
DOI: 10.1039/C9CE01336A
CrystEngComm, 2019, Accepted Manuscript

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    Energetic furazan-triazole with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties

    Y. Liu, Y. Xu, Q. Sun and M. Lu, CrystEngComm, 2019, Accepted Manuscript , DOI: 10.1039/C9CE01336A

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