Ce(C_8H_8)_2和Ce(C_8H_8)_2^-的化学键性质

The Bond Properties of Ce(C_8H_8)_2 and Ce(C_8H_8)_2-

结合改进的重叠模型Xa-SW法和Ziegler过渡态法,通过将中心原子与配体的作用选成离子聚集、中心原子只有s和p轨道参与成键、中心原子只有d轨道参与成键、中心原子只有f轨道参与成键、中心原子的s、p、d和f轨道同时参与成键5种类型,从能量角度分析了Ce(C_8H_8)_2和Ce(C_8H_8)^-_2的化学键性质。

By assigning the bonding forms of dicyclooctatetraenyl cerium as: (1)ion aggregation state Ce4+(C8H8)24- ; (2) s and p orbitals of cerium are used to form the covalent bond of cerium and the ligand; (3) d orbital of cerium is used to form the covalent bond of cerium and the ligand; (4) f orbital of cerium is used to form the covalent bond of cerium and the ligand; (5) s, p, d and / orbitals of cerium are used to form the covalent bond of cerium and the ligand. The bond properties of Ce(C8H8)2 and Ce(C8H8)2- are analysed in energy with the improved Xa-SW method and Ziegler' s transition state method.