Preparation of Highly Energetic Coordination Compounds with Rich Oxidants and Lower Sensitivity Based on Methyl Groups

Revamping the structure of energy storage is an efficient strategy for striking a balance between the performance and sensitivity of energetic materials to achieve high energy and reduced sensitivity. In continuation of prior research, this study utilized the ligand 3,5-dimethyl-1H-pyrazole-4-carbonhydrazide (DMPZCA) and innovatively designed and synthesized the compound ECCs [Cu(HDMPZCA)2(ClO4)2](ClO4)2·2H2O (ECCs-1·2H2O). Compared with the former research, solvent-free compound ECCs-1 refers to an innovative material characterized by a dual structure involving ionic salts and coordination compounds. Due to these unique structures, ECCs-1 exhibits an increased [ClO4-] content, a higher oxygen balance constant (OB = -7.9%), and improved mechanical sensitivity (IS = 8 J, FS = 32 N). Theoretical calculations support the superior detonation performance of ECCs-1. Additionally, experimental results confirm its ignition capability through lower-threshold lasers and highlight the outstanding initiation potential and explosive power, making it a suitable candidate for primary explosives.