CHINESE JOURNAL OF ENERGETIC MATERIALS
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Synthesis and Properties of Two 1,2,5-Oxadiazole based Energetic Salts with Nitrogen-Rich Fused Ring Skeleton
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School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology

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Grant support: National Natural Science Foundation of China (No. 22305124); Natural Science Foundation of Jiangsu Province (No. BK20220967)

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    Abstract:

    Two nitrogen-rich energetic salts, 5,5''-(hydrazine-1,2-diyl)bis(5,7-dihydro-[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-8(4H)-one) perchlorate (2) and 5,5''-(diazene-1,2-diyl)bis([1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidine-8(7H)-one) nitrate (3) were accomplished from the raw material of 5,6-diamino-[1,2,5]oxadiazolo[3,4-b]pyrazine (1). Structure characterization of energetic ionic salts 2 and 3 were achieved through various techniques, including Nuclear Magnetic Resonance Spectroscopy (NMR), Fourier Transform infrared spectroscopy (FTIR), elemental analysis (EA) and X-ray single crystal diffraction (XRD). Their thermal decomposition behaviors were investigated using differential scanning calorimetry (DSC) method, while their friction and impact sensitivities were identified according to BAM standard test methods. Moreover, their detonation performances were predicted based on the combination of Isodesmic Reactions and EXPLO5 software. The results prove that compounds 2 and 3 crystallize in the monoclinic system, belonging to space groups Pn and P21/n, respectively. The cationic parts of their crystal structures show good planarity and intensive hydrogen bonds in the crystal packing are observed. The thermal decomposition temperatures of compounds 2 and 3 are 154 ℃ and 130 ℃, respectively. Their theoretical detonation velocities are 7722 m·s-1 and 8008 m·s-1, while their theoretical detonation pressures are 26.3 GPa and 28.4 GPa, respectively. Their friction sensitivities are both 360 N, and impact sensitivities are greater than 40 J. Compounds 2 and 3 outperform traditional explosives TNT in terms of detonation performance, friction sensitivity, and impact sensitivity.

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李涛,易文斌,于琼.两种富氮稠环型1,2,5-噁二唑类含能盐的合成及性能[J].含能材料,2024,32(6):615-622.
LI Tao, YI Wen-bin, YU Qiong. Synthesis and Properties of Two 1,2,5-Oxadiazole based Energetic Salts with Nitrogen-Rich Fused Ring Skeleton[J]. Chinese Journal of Energetic Materials,2024,32(6):615-622.

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History
  • Received:January 25,2024
  • Revised:April 23,2024
  • Adopted:April 14,2024
  • Online: April 17,2024
  • Published: June 25,2024