[Cd(ATZ)_4(H_2O)_2](PA)_2·2H_2O的合成、晶体结构和热分解机理研究

Studies on Synthesis, Crystal Structure and Thermal Decomposition Mechanism of Cadmium Complex [Cd(ATZ)_4(H_2O)_2](PA)_2·2H_2O

合成了以 5 -氨基四唑为配体的镉配合物 [Cd(ATZ) 4(H2 O) 2 ](PA) 2 ·2H2 O ,并对其进行了晶体结构测定 .测定结果表明 ,该配合物分子具有中心对称性 ,每个Cd2 +分别与 2个水分子中的氧原子和 4个 5 -氨基四唑 (ATZ)分子中的 4-位氮原子配位 ,形成六配位畸变八面体结构 ;在配合物分子间存在大量氢键 ,增加了整个晶体结构的稳定性 .通过DSC和TG -DTG分析 。

The cadmium complex containing 5-aminotetrazole ligands, [Cd(ATZ)_4(H_2O)_2](PA)_2·2H_2O, was synthesized and characterized by instrumental analysis and X-ray crystal structure determination. The results indicate that the title compound is centro-symmetrical and the cadmium ion is located at the symmetry center. Each cadmium ion is coordinated by two oxygen atoms of the coordination water molecules and four nitrogen atoms of 5-aminotetrazole. The cadmium ion has a distorted octahedron configuration with hexa-coordination. There are lots of hydrogen bonds among molecules in the crystal so that it will enhance the stability of the whole crystal structure. Thermal decomposition mechanism of the title compound is proposed based on the DSC and TG-DTG analyses.