L-赖氨酸锌配合物结构的理论研究

The theoretic research on the structure of zinc L -lysine

采用量子化学半经验PM3方法 ,优化了L -赖氨酸锌配合物的几何结构 ,对L -赖氨酸锌配合物的结构、电子性质进行了分析 ,结果表明 :计算结果与实验得到的晶体结构基本吻合 ,证实了L -赖氨酸锌配合物中Zn具有五配位结构 。

Molecular structural character of zinc L -lysine compound was optimized by in theory by the methods of quantum chemistry PM3.The structure and electronic property was analyzed.The result show,the result of calculation agreed that the structure of crystal,it testifies zinc L -lysine bears the structure five-coordinate.Simultaneity,the population of net charge and molecular front orbiters wer analyzed.