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

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...

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Published inDalton transactions : an international journal of inorganic chemistry Vol. 48; no. 10; pp. 3237 - 3242
Main Authors Liu, Yingle, He, Chunlin, Tang, Yongxing, Imler, Gregory H, Parrish, Damon A, Shreeve, Jean'ne M
Format Journal Article
LanguageEnglish
Published England Royal Society of Chemistry 05.03.2019
Subjects
Chemical analysis
Crystallography
Crystals
Detonation
Energetic materials
NMR
Nuclear magnetic resonance
RDX
Single crystals
Triazoles
X-ray diffraction
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Summary: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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ISSN:1477-9226
1477-9234
DOI:10.1039/c8dt05071f