A new Cu(II)-based energetic complex constructed using mixed building blocks: Synthesis, structure and standard molar enthalpy of formation

Abstract A new energetic complex, Cu(TO) 2 (HDNBA) 2 (DNBA) 2 (1) (TO = 1,2,4-triazole-5-one, HDNBA = 3,5-dinitrobenzoic acid), has been synthesized and characterized. Structural analysis reveals that 1 possesses a 3D supermolecular architecture with mononuclear Cu(II) unit and mixed building blocks. TG and DSC analyses of 1 display a rapidly one-step thermal decomposition process and relatively high thermostability up to 498 K. The non-isothermal kinetics of exothermic decomposition process of 1 was studied. Based on the solution calorimetry, a thermochemical cycle was designed to determine the enthalpies of solution of reactants and products of coordination reaction of 1 by using a RD496-2000 microcalorimeter at 298.15 K. The standard molar enthalpy of formation of 1 was determined to be −(1585.7 ± 2.3) kJ·mol −1 . The detonation properties of 1 were calculated by an effective empirical method using the standard molar enthalpy of formation. The calculated heat of detonation of 1 is equivalent to that of TNT and higher than some known energetic complexes, such as CHHP and ZnHHP.