富氮多环含能离子盐的合成和性能OA北大核心CSTPCD

A coupling reaction using hydrochloric acid and potassium permanganate as oxidizing agents was carried out to syn-thesize compound 1 from the polyamino fused heterocyclic compound 5-(6,7-diamino-3-imino-3H-[1,2,4]triazolo[4,3-b][1,2,4]triazolo-2(7H)-yl)tetrazole.Subsequent displacement reaction in perchloric acid gave the perchlorate 2.The structure and thermal performance of compound 2 were characterized by X-ray single crystal diffraction,Fourier Infrared spectroscopy,Nuclear Magnetic Resonance,elemental analysis,differential scanning calorimetry(DSC)and thermogravimetry analysis(TG).Additionally,the heat of formation was computed using Gaussian software,and the detonation properties of compound 2 were calculated using EXPLO5 software.The results showed that compound 2 crystallizes in the monoclinic crystal system,possessing a crystal density of 1.750 g·cm-3 with four molecules per unit cell.The onset thermal decomposition temperature of compound 2 is 232.6℃,its theoretical detonation velocity and pressure are 8373 m∙s-1 and 29.05 GPa,respectively.Remarkably,com-pound 2 exhibited insensitivity to external mechanical stimuli,evidenced by an impact sensitivity of 40 J and a friction sensitivity of 360 N,indicative of its robust performance overall.