二(吡唑)甲烷的铜配合物的合成、晶体结构和量子化学研究

Study on the synthesis and crystal structure of copper(Ⅱ) compound coordinated by bis(pyrazol-l-yl)mathane and quantum chemistry

测定了二(吡唑)甲烷(BPM)的铜化合物[Cu(BPM)2Cl]Cl·2H2O的晶体结构,铜(Ⅱ)为四方锥的配位构型;并运用量子化学的方法对配合物进行了理论计算,旨在从结构上研究其稳定性.

A novel compound [Cu(BPM)_2Cl]Cl·2H_2O(BPM=bis(pyrazol-l-yl)mathane) has been synthesized and characterized by X-ray diffraction.The copper(Ⅱ)ion has a square-pyramidal geometry.The quantum-chemical study has been performed on the titled compound using PM3 method.