The effects of isomer ligands on characteristics of novel structural energetic coordination compounds

In order to investigate the effect of isomeric ligands on complexes, based on previous work, the energetic coordination compound Cu(2H-4-APZ-5-CA) 2 (ClO 4 ) 4 (ECCs-1 ) was creatively synthesized by using the isomer compound 4-amino-1 H -pyrazole-5-carbohydrazide (4-APZ-5-CA) as the ligand. This new type of ECCs-1 is a novel energetic material with a dual structure of ionic salts and coordination compounds, which gives it a positive oxygen balance with OB (Oxygen balance) is 4.9 %. The results of physical and chemical performance tests indicate that structurally symmetric ligands have a positive impact on the thermal stability and mechanical sensitivity of the complex. Therefore, ECCs-1 has a lower thermal decomposition temperature ( T d = 205 °C) and higher mechanical stimulation ( IS < 1 J, FS < 5 N). However, the results of laser ignition experiments and lead plate destruction experiments indicate that the detonation ability and explosive power of ECCs-1 are not significantly affected by the ligand ( E = 35 mJ, P = 10 W, τ = 3.5 ms). This work provides design ideas for exploring the role of isomers in high oxidant content complexes. The isomeric compounds 4-amino-1 H -pyrazole-5-carbohydrazide (4-APZ-5-CA) was used as ligands to creatively synthesized the energetic coordination compounds Cu(2H-4-APZ-5-CA) 2 (ClO 4 ) 4 (ECCs-1). Compared to previous work, ECCs-1 has different density, thermal decomposition temperature, and detonation properties, but similar detonation ability ( T d = 205 °C, IS < 1 J, FS < 5 N, D EXPLO5 = 7.9 km s −1 , P EXPLO5 = 29.1 GPa, E = 42 mJ, P = 12 W, τ = 3.5 ms). • ECCs-1 represents a novel class of energetic materials characterized by a dual structural configuration. • The use of isomeric ligands leads to variations in the density and thermal decomposition temperature of ECCs-1. • The use of isomeric ligands does not affect the detonation ability and explosive power of ECCs-1.