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Synthesis, Structure and Properties of 5,6-Diaminofurazano[3,4-b]pyrazine-4,7-dioxide
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1.Xi''an Modern Chemistry Research Institute, Xi''an 710065, China;2.State Key Laboratory of Fluorine & Nitrogen Chemicals, Xi′an 710065, China

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    Abstract:

    The synthesis of novel high energy low sensitivity materials is important for improving of energy level and safety performance of weapons. 5,6-Diaminofurazano[3,4-b]pyrazine-4,7-dioxide (DAFPO) was firstly synthesized by oxidation reaction using 5,6-diaminofurazano[3,4-b]pyrazine as raw material. Its structure was characterized by nuclear magnetic resonance (1H, 13C and 14N spectrum), infrared spectroscopy and element analysis. The single crystal of DAFPO·2H2O was cultivated from ethyl acetate. Its crystal structure was determined by X-ray single-crystal diffraction, and the intermolecular interactions were investigated by Hirshfeld surface analysis. DAFPO·2H2O belongs to orthorhombic system, space group Pna21, the crystal density is 1.806 g·cm-3 at 296 K. The crystal is stabilized by strong O…H and N…H hydrogen bonds interactions existed in different molecules. The thermal behavior of DAFPO was studied by DSC and TG/DTG method, giving decomposition temperature at 131.8 ℃. Based on atomization reaction and Gaussian 09 software, the calculated solid heats of formation of DAFPO is 753.5 kJ·mol-1. Its density is 1.86 g·cm-3 by gas expansion replacement method. The calculated detonation velocity and detonation pressure predicted by EXPLO5 code are 8836 m·s-1 and 36.0 GPa, respectively. According to standard BAM method, the impact sensitivity is above 40 J, and the friction sensitivity is above 360 N. It is found that DAFPO is a novel low sensitivity energetic material with high energy level and good safety performance.

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刘宁,段秉蕙,卢先明,等.5,6-二氨基呋咱并[3,4-b]吡嗪-4,7-二氧化物(DAFPO)的合成、结构及性能[J].含能材料,2020,28(7):625-631.
LIU Ning, DUAN Bing-hui, LU Xian-ming, et al. Synthesis, Structure and Properties of 5,6-Diaminofurazano[3,4-b]pyrazine-4,7-dioxide[J]. Chinese Journal of Energetic Materials,2020,28(7):625-631.

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History
  • Received:September 19,2019
  • Revised:December 24,2019
  • Adopted:December 13,2019
  • Online: December 23,2019
  • Published: July 25,2020