基 于 吡 唑［1，5⁃d］四 唑 稠 环 骨 架 的 含 能 盐 设 计 、合 成 与 性 能

Two energetic salts based on the pyrazolo［1，5⁃d］tetrazole fused skeleton，namely 6⁃azido⁃7⁃nitropyrazolo［1，5⁃d］tet⁃ razolium ammonium salt（4） and 6⁃amino⁃7⁃nitropyrazolo［1，5⁃d］tetrazolium hydrazinium salt（5），were synthesized via a three⁃step reaction using 4，6⁃dichloro⁃5⁃nitropyrimidine as the starting material. Their chemical structures were fully confirmed by Fourier transform infrared（FT⁃IR）spectroscopy，nuclear magnetic resonance（¹H NMR，¹³C NMR）spectroscopy，elemental analysis，and X⁃ray single⁃crystal diffraction. The results indicate that the addition of aqueous ammonia and hydrazine hydrate promotes the in⁃situ cyclization of the ortho⁃azido group in 3，5⁃diazido⁃4⁃nitropyrazole （3）， thereby constructing the pyrazolo⁃tetrazole fused skeleton. Concurrently，hydrazine hydrate reduces the azido group not involved in the cyclization to an amino group. Based on calculations using the Gaussian 16 program，the formation enthalpies of compounds 4 and 5 are 666.0 kJ·mol^-1 and 461.9 kJ·mol^-1，respectively. The detonation velocities（D）and detonation pressures（p）calculated by the EXPLO 5 software are 8617 m·s^-1 and 28.8 GPa for compound 4，and 8789 m·s^-1 and 28.4 GPa for compound 5. According to the BAM standard test methods，the impact sensitivities（IS）of compounds 4 and 5 are determined to be 1 J and 10 J，while their friction sensitivities（FS）are 5 N and 120 N，respectively.