Preparation, Crystal Structure, and Thermal Decomposition of a Novel Nitrogen-rich Compound Zn3(ATZ)6(N3)6 ( ATZ=4-amino-1,2,4-triazole, N%=61.7%)

The green nitrogen-rich coordination compound Zn-3(ATZ)(6)(N-3)(6) (1) (ATZ = 4-amino-1,2,4-triazole) was prepared and characterized by elemental analysis, IR spectroscopy, DSC and TG/DTG analyses. Its crystal structure was determined through X-ray single crystal diffraction at 153(2) K. The crystal belongs to the monoclinic P2(1)/n space group with crystal parameters of the unit cell dimensions: a = 0.9187(3) nm, b = 1.4109(4) nm, c = 1.3395(4) nm, = 92.593(4)degrees, V = 1.7345(8) nm(3), Z = 4, D-c = 1.824 gcm(-3). The kinetic parameters of the first exothermic process of 1 were studied by the Kissinger's method and Ozawa-Doyle's method. Sensitivity tests revealed that 1 is insensitive to mechanical stimuli.