三维网状结构配位聚合物[Cu(HCOO)_2(H_2O)_2]_∞晶体的热分解机理(英文)

Thermal Decomposition Mechanisms of a Three-dimensional Framework Coordination Polymer [Cu(HCOO)_2(H_2O)_2]_∞

用水热合成法得到了[Cu(HCOO)2(H2O)2]∞的晶体,采用TG-DTG和DSC法对配合物[Cu(HCOO)2(H2O)2]∞进行了热分解机理和热分解动力学研究.通过对DSC曲线用Kissinger、Ozawa、积分法和微分法处理的结果进行比较,得到了脱水过程的动力学模型函数.并用X射线单晶衍射、元素分析、FTIR光谱技术进行了表征.结果表明该配位聚合物晶体为单斜晶系,属P21/c空间群,晶胞参数为a=0.8533(2)nm,b=0.7151(2)nm,c=0.9463(2)nm,β=96.94(0)°.晶胞体积V=0.5732(2)nm3,Z=4,计算得到的晶体密度Dc=2.197g·cm-3.在该配位聚合物中,通过甲酸根作为连接配体将两种铜配位中心连接起来形成三维网状框架结构.

The crystal of [Cu（HCOO）2（H2O）2]∞ （polymer 1） has been synthesized and cultured using the hydrothermal method. The thermal decomposition mechanisms and the associated kinetics of polymer 1 have been investigated based on the TG-DTG and DSC analyses. The most probable kinetic model function of the endothermic process was suggested by comparison of the kinetic parameters obtained from the analysis of the DSC curves by Kissinger＇ s, Ozawa＇ s, integral, and differential methods. The crystal of polymer 1 was characterized by X-ray single crystal diffraction, elemental analysis, and FTIR spectroscopy techniques. The coordination polymer crystallizes in monoclinic system, P21/c space group with crystal parameters of a=0.8533（2）nm,b=0.7151（2）nm,c=0.9463（2）nm,β=96.94（0）°, V=0.5732（2） nm^3, Z=4, and Dc=2,197 g·cm^-3. In the coordination polymer, with the formates as space linkers, two types of copper centers are joined together to form three-dimensional frameworks.