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

作者：Wu, Shuo; Lin, Guowei; Ge, Yihao; Yang, Zhengyi; Yang, Qi^*; Wei, Qing; Xie, Gang; Chen, Sanping^*; Gao, Shengli; Lu, Jack Y.^*

来源：Polyhedron, 2019, 157: 18-24.

DOI：10.1016/j.poly.2018.09.067

• 1,2,4-Triazole-5-one
• 3,5-Dinitrobenzoic acid
• Energetic complex
• Crystal structure
• Standard molar enthalpy of formation

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.

• 出版日期2019-1-1
• 单位西北大学