Study on Crystal Structure and Thermal Decomposition Mechanism of a Novel Coordination Compound [Zn(DAT)2(H2O)4](PA)2•H2O

A novel coordination compound [Zn(DAT)(2)(H2O)(4)](PA)(2)center dot 2H(2)O has been synthesized using 1,5-diaminotetrazole (DAT) as ligands. It crystallizes in the monoclinic space group C2/c, with a = 1.51973(19) nm, b = 0.67904(9) nm, c = 3.0712(4) nm, beta = 90.507(2)degrees. V = 3.1692(7) nm(3). Z=4. and mu = 0.888 mm(-1). With the intermolecular hydrogen bonds, molecules are linked together to form a three-dimensional net structure. Thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG. and FT-IR analyses. The kinetic parameters of the first exothermic process of the title compound were studied applying the Kissinger's and Ozawa-Doyle's methods.