Synthesis of chiral zinc porphyrin and its thermodynamic study of coordination reactions with substituted imidazoles

Abstract

以 L-( +) -酒石酸为手性源 ,合成了一类新型手性锌 ( )卟啉配合物 ,用元素分析、比旋光、紫外可见光谱等手段对产物及其中间体进行了表征 .研究了这类卟啉与三种咪唑类配体轴向配位反应热力学性质 ,发现取代基的电子效应强烈地影响锌卟啉和配体的热力学性质 ,并用分子力学、半经验量化计算的方法对卟啉和配体的结构进行了优化和计算 ,得到和实验现象相一致的结果 . Started off with the normal chiral material, L (+) tartaric acid, a series of novel chiral Zinc(Ⅱ) porphyrin is prepared, and Elements analysis, NMR, Uv vis and Polarization analysis give the characterization. A thermodynamic study has been carried out for the axial coordination reactions between chiral porphyrin and some imidazole like ligands. Electronic implication is found to be an important factor in its thermodynamics, furthermore, with molecular mechanics method, MM2, and semi empirical method in Quantum Chemistry, AM1, configuration optimization and other calculation have been carried out on porphyrins and ligands, whose results are inline with the experiments.