Synthesis and Properties of Three Guanidinium Salts Based on High-Oxygen-Balanced 1,4-Dinitramino-3,5-Dinitropyrazolate Anion

Three guanidinium salts based on high-oxygen-balanced 1,4-dinitramino-3,5-dinitropyrazolate anion were synthesized. And the structures of these salts were characterized by NMR ( 1 H and 13 C), IR spectroscopy, and elemental analysis, and single crystal X-ray diffraction. Furthermore, their thermal stabilities were analyzed by differential scanning calorimetric measurements (DSC) with the diaminoguandinium salt being thermal stable up to 153.1 o C. Their enthalpies of formation were calculated based on isomesdic reaction by using Gaussian 09 program to be between 193.4 and 613.2 kJ mol -1 . The results show that the densities of salts 8 - 10 are between 1.572 and 1.693 g·cm -3 , and their thermal decomposition temperatures are between 93.4 and 153.1°C. Their detonation velocities and detonation pressures are calculated according to Kamlet-Jacobs detonation equations to be between 7638-8227 m·s -1 and 23.8-28.8 GPa, respectively. Salts 9 and 10 have better detonation performance and high sensitivity, and can be used as primary explosives. Among them, salt 10 has the best detonation performances and the highest hydrogen content (3.5%), which makes it a potential energetic material to be used as air generating agent