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Crystal Structure and Thermal Stability of the Novel Low-Sensitive Energetic Material N-(2-fluoro-2,2-dinitroethyl)-1,5-diaminotetrazole-1H
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1.Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621999, China;2.School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, China

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    Abstract:

    N-(2-fluoro-2, 2-dinitroethyl) -1, 5-diaminotetrazole-1H was synthesized by a one-step Mannich reaction under mild conditions using 1, 5-diaminotetrazole-1H and 2, 2-fluorodinitroethanol as starting materials. Its molecular structure was deter- mined by X-ray single crystal diffraction analysis. It crystallizes in orthorhombic system, space group Pca21, with a crystal densi- ty of 1.77 g·cm-3 at 173 K. The different interactions in crystal were analyzed by Hirshfeld surface. In the analysis, the dominant intermolecular interactions in the crystal and their distributions were (R is a proportional abbreviation):RO…H/H…O=27.0%, RN…H/H…N=21.5%, RF…O/O…F/F…H/H…F/N…F/F…N=15.9%, mainly hydrogen bonding and halogen bonding interactions. The thermal stability was studied by thermogravimetry and differential scanning calorimetry(TG-DSC). At a heating rate of 5 ℃·min-1, there was only one sharp decomposition peak with the temperature at 177.32 ℃, and the mass loss was 92.53% demonstrating a nearly complete decomposition at such temperature. Its activation energy were calculated by using Kissinger method and Ozawa method as 213.228 kJ·mol-1, 209.984 kJ·mol-1 respectively, which were shown. A spatial reticulated porous structure were observed according to the field emission-scanning electron microscopy(FE-SEM)analyses.

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李杰,张国杰,马卿,等.新型低感含能材料N-(氟偕二硝基乙基)-1,5-二氨基四唑-1H的晶体结构及其热稳定性[J].含能材料,2018,26(11):945-950.
LI Jie, ZHANG Guo-jie, MA Qing, et al. Crystal Structure and Thermal Stability of the Novel Low-Sensitive Energetic Material N-(2-fluoro-2,2-dinitroethyl)-1,5-diaminotetrazole-1H[J]. Chinese Journal of Energetic Materials,2018,26(11):945-950.

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History
  • Received:July 10,2018
  • Revised:October 07,2018
  • Adopted:September 04,2018
  • Online: September 18,2018
  • Published: November 25,2018