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许多二价钴络合物CoX_2L_2具有C_(2v)的点群结构。但对这类低对称性分子电子光谱的理论处理遇到了多参数的困难,而且无法把这些参数与分子的结构相联系起来,这也是低对称性分子电子光谱的理论处理迟迟得不到发展的主要原因。本文测定了一系列具有CoX_2L_2分子式新络合物分子的电子光谱。由配位场理论直接应用到这些络合物分子,可得到分裂能级的表达式,这些式中含有五个参数。由理论计算,CoX_2L_2的六个谱带得到了明确的归属。并提出了一种计算Racah参数的新方法,由此可以得到不同卤素,不同磷配体络合物分子的电子云伸展效应序列。我们对计算出的参数Bλ,x的物理意义进行了分析讨论,认为B_(z,0)的大小决定了络合物分子偏离正四面体结构的程度,并可佔算出配位角的大小詈笪颐腔苟訠λ,x参数与不同磷配体影响钴磷间π反馈键强弱做了关联。
Many divalent cobalt complexes CoX_2L_2 have a C 2v point group structure. However, the theoretical treatment of such low-symmetry molecular electronic spectroscopy has encountered difficulties in multi-parameter processing and can not relate these parameters to the molecular structure. This is why the theoretical treatment of low-symmetry molecular electronic spectroscopy has not been developed yet The main reason. In this paper, we have determined a series of electronic spectra of new complex molecules with CoX_2L_2 molecular formula. Applying the ligand field theory directly to these complex molecules yields an expression for the splitting energy level, which contains five parameters. By theoretical calculations, the six bands of CoX_2L_2 have been clearly assigned. A new method for calculating the Racah parameter is proposed, in which the electron cloud stretching effects of different halogen and different phosphorus ligand complexes can be obtained. We analyze and discuss the physical meaning of the calculated parameters Bλ, x. It is considered that the size of B_ (z, 0) determines the degree of deviation of the complex molecules from the regular tetrahedron structure and can account for the size of the coordination angle詈 笪 腔 腔 Gou 訠 λ, x parameters and different phosphorus ligands affect the interaction between cobalt and phosphorus π feedback bond strength.