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Issue 10, 2019
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Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

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Abstract

A class of polyazole energetic compounds (combination of tetrazolyl, dinitromethyl and triazole) was obtained from 4,5-dicyanotriazole. All the new compounds were fully characterized by IR, NMR [1H, 13C{1H}], elemental analysis, and differential scanning calorimetry (DSC). Compounds 5, 6 and 8 were further characterized with single-crystal X-ray diffraction studies. Heats of formation and detonation performances were determined using Gaussian 03 and EXPLO5 v6.01 programs, which show that 5 is a promising green primary explosive and 7 as a secondary explosive has a detonation velocity superior to 1,3,5-trinitrotriazacyclohexane (RDX).

Graphical abstract: Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

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Publication details

The article was received on 22 Dec 2018, accepted on 07 Feb 2019 and first published on 07 Feb 2019


Article type: Paper
DOI: 10.1039/C8DT05071F
Citation: Dalton Trans., 2019,48, 3237-3242

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    Tetrazolyl and dinitromethyl groups with 1,2,3-triazole lead to polyazole energetic materials

    Y. Liu, C. He, Y. Tang, G. H. Imler, D. A. Parrish and J. M. Shreeve, Dalton Trans., 2019, 48, 3237
    DOI: 10.1039/C8DT05071F

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