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Issue 9, 2014
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Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers

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Abstract

N-Trinitroethylamino energetic derivatives were obtained from carbon and nitrogen functionalization of nitropyrazoles and nitrotriazoles. N-Trinitroethylamino nitroazoles and N-amino nitroazoles were fully characterized by IR, multinuclear NMR spectra, and elemental analyses. Compounds 10, 11 and 15 were further confirmed by single crystal X-ray structuring. N-Functionalized nitroazoles have moderate to excellent thermal stabilities with good densities. Data based on impact and friction tests show these compounds range from very sensitive to insensitive. Theoretical calculations carried out using Gaussian 03 demonstrate good to excellent detonation pressures and velocities, as well as high specific impulse.

Graphical abstract: Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers

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Publication details

The article was received on 06 Dec 2013, accepted on 13 Jan 2014 and first published on 15 Jan 2014


Article type: Paper
DOI: 10.1039/C3TA15057G
Citation: J. Mater. Chem. A, 2014,2, 3200-3208
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    Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers

    P. Yin, J. Zhang, C. He, D. A. Parrish and J. M. Shreeve, J. Mater. Chem. A, 2014, 2, 3200
    DOI: 10.1039/C3TA15057G

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