准四面体(C_(2υ))的钴(Ⅱ)吡唑类配合物配位场光谱的角度重叠模型(AOM)解析

AOM Analysis on Ligand Field Spectra of the Pyrazole Species Complexes of Pseudo-Tetrahedral Co(Ⅱ) (C_(2υ))

我们曾陆续合成了一些3,5-二苯基吡唑及其衍生物的过渡金属配合物,这些配合物具有一定的催化性能。为了探讨这些配合物中配体和金属离子之间的键合情况,本文对其中的CoL_2Cl_2(L=1-甲基-3,5-二苯基吡唑)和最近文献发表的CoL′_2X_2(L′=1-甲基-3,4-二苯基吡唑,X=Cl^-,Br^-,I^-和NCS^-)的配位场光谱数据用AOM进行了处理,所用计算机程序见文献。

The ligand field spectra of the complexes with formulae CoL'2X2 (L' = 1-methyl-3, 4-diphenylpyrazole, X=Cl-, Br-, I-, NCS-) and CoL2Cl2(L=1-methyl-3,5-diphenylpyrazole) have been fitted by means of Angular Overlap Model (AOM). The fitting results are comparatively satisfactory. The effects of varying the angle, the angle between the C2 axis and the metal-ligand bond directions, on the energy levels of quartet states for the complex CoL2Cl2 were interpreted by means of AOM calculations. The AOM parameters for each ligand were obtained. The fitting and calculating results has been discussed.