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Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation

Abstract

A new family of vinyl bridge 1,1’-(ethane-5-yl)-bis(3,4-diamino-1,2,4-tirazolium) salts were explored as novel structural energetic materials. There new salts were further characterized by elemental analysis, infrared and multinuclear NMR spectra. Structural confirmation of nine salts such as 4–11, 14 was supported by single-crystal X-ray diffraction. Theoretical investigations associated with heats of formation and detonation performance were carried out by employing Gaussian 09 program and EXPLO5 V6.02 code, respectively. The sensitivities towards impact and friction were studied using the BAM standards. According to the experimental and computational data, there salts show densities ranging from 1.61 to 1.82 g cm-3at 298 K, good thermal stabilities (Td: 217 oC–322oC), excellent detonation performance (P: 7809 m s-1 to 9640 m s-1, D: 24.6 GPa–33.9 GPa) and rational impact and friction sensitivities (IS: 4 J to 60 J, FS: 120 N to 360 N).

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Publication details

The article was received on 08 Apr 2017, accepted on 13 May 2017 and first published on 15 May 2017


Article type: Paper
DOI: 10.1039/C7DT01261F
Citation: Dalton Trans., 2017, Accepted Manuscript
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    Energetic π-conjugated vinyl bridged triazoles: a thermally stable and insensitive heterocyclic cation

    Q. Ma, Y. Chen, L. Liao, H. Lu, G. Fan and J. Huang, Dalton Trans., 2017, Accepted Manuscript , DOI: 10.1039/C7DT01261F

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