两种富氮稠环型1,2,5-噁二唑类含能盐的合成及性能OA北大核心CSTPCD

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]tri-azolo[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]triazo-lo[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,includ-ing 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 scan-ning calorimetry(DSC)method,while their friction and impact sensitivities were identified according to BAM standard test meth-ods.Moreover,their detonation performances were predicted based on the combination of Isodesmic Reactions and EXPLO5 soft-ware.The results prove that compounds 2 and 3 crystallize in the monoclinic system,belonging to space groups Pn and P21/n,re-spectively.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 theoreti-cal 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 outper-form traditional explosives TNT in terms of detonation performance,friction sensitivity,and impact sensitivity.