论文部分内容阅读
配位场理论在解释配合物的热力学,立体化学以及动力学等性质时都要用到配位场稳定化能(LFSE)的概念。前人的文献只研究了正八面体,正四面体或者个别低对称性配合物的配位场稳定化能。如果要系统地研究配合物的构型优先化,推断配合物取代反应的历程,只有上述特殊构型配合物的配位场稳定化能是不够的。为此本文计算了二十三种常见构型配合物的d~1-d~(10)体系的配位场稳定化能。
The ligand field theory uses the concept of LFSE to explain the properties of thermodynamics, stereochemistry and kinetics of complexes. Previous literatures only studied the coordination field stabilizing energy of n-octahedron, tetrahedron or individual low-symmetry complexes. If we want to systematically study the configuration prioritization of complex and deduce the course of the complex substitution reaction, only the coordination field stabilization of the above specific configuration complexes is not enough. In this paper, the coordination field stabilizing energies of d ~ 1 ~ d ~ (10) system of twenty-three kinds of common configuration complexes were calculated.