Chelating Energetic Material Nickel Semicarbazide 2,4,6-Trinitroresorcinol: Synthesis, Structure, and Thermal Behavior.

Through a one-pot reaction of NiCO3 ·2Ni(OH)2 ·H2O, aminourea hydrochloride (SCZ ·HCl) and 2,4,6-trinitroresorcinol (TNR), a halogen-free and lead-free chelating energetic material (CEM) [Ni(SCZ)3]TNR was synthesized. We confirmed the structure of [Ni(SCZ)3]TNR by infrared spectroscopy, X-ray diffraction, and elemental analysis. The complex is triclinic with P $\bar{1}$(2)/ n space group. Cell parameters are: a = 1.04008(17) nm, b = 1.3719(2) nm, c = 1.4897(2) nm, V = 2.0337(6) nm3, Z = 4. The central nickel atom is six-coordinate with three oxygen atoms of carbonyl groups and three terminal nitrogen atoms of the hydrazine groups from three SCZs to form a distorted octahedron. Differential scanning calorimetry and analysis applied to assess the thermal decomposition behavior. The DSC curve with a linear heating rate of 10 °C ·min-1 shows that [Ni(SCZ)3]TNR is thermally stable with one exothermic peak temperatures of 78.8 °C and two exothermic peak temperatures of 216.8 °C and 308.1 °C. The kinetic parameters were obtained by non-isothermal reaction kinetics. The equation can be expressed as ln k = 24.49-243.3 × 103/ RT. Moreover, the values of the critical temperature of thermal explosion, Δ S≠, Δ H≠, Δ G≠, and the enthalpies of formation were obtained as 206.5 °C, -145.543 J ·mol-1 ·K-1, 237.18 kJ ·mol-1, 305.84 kJ ·mol-1, and -2.65 MJ ·kg-1, respectively. [ABSTRACT FROM AUTHOR]