Synthesis, Crystal Structure and Thermal Properties of Zn(NH3)(3)(AFT)(2)

A new coordination compound of Zn(NH3)(3)(AFT)(2) (1, ZnC6H13N17O2, AFT = 4-amino-3-(5-tetrazolate)-furazan) was synthesized and characterized by elemental analysis and FT-IR spectrum. Its crystal structure was determined by X-ray single-crystal diffraction. This crystal belongs to the orthorhombic system, space group Pnma with a = 18.680(3), b = 6.9438(11), c = 12.268(2) angstrom, mu = 1.592 mm(-1), V = 1591.3(4) angstrom(3), M-r = 420.72, D-c = 1.756 g.cm(-3), Z = 4, F(000) = 860, the final R = 0.0480 and wR = 0.1262 for the observed reflections with I > 2 sigma(I). The zinc(II) ion is five-coordinated by N atoms from two AFT-ligands and three NH3 molecules. The thermal decomposition mechanism of compound 1 was tested by differential scanning calorimetry (DSC) and thermogravimetry-derivative thermogravimetry (TG-DTG) methods. The DSC curve exhibits two endothermic and one exothermic processes. In addition, the non-isothermal kinetics parameters were calculated by using the Kissinger's method and Ozawa-Doyle's method. Besides, the entropy of activation (Delta S-not equal), enthalpy of activation (Delta H-not equal), free energy of activation (Delta G(not equal)) and impact sensitivity (IS) was also obtained.