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


School of Chemistry and Environmental Engineering, Sichuan University of Science & Engineering, 180 Xueyuan Street, Huixing Lu, Zigong, Sichuan 643000, China. [Email]


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).

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