高等学校化学学报

高等学校化学学报 ›› 1992, Vol. 13 ›› Issue (5): 643.

• 论文 • 上一篇    下一篇

Ce(C8H8)2和Ce(C8H8)2-的化学键性质

王义   

  1. 北京大学化学系, 北京, 100871
  • 收稿日期:1991-04-08 出版日期:1992-05-24 发布日期:1992-05-24

The Bond Properties of Ce(C8H8)2 and Ce(C8H8)2-

WANG Yi   

  1. Department of Chemistry, Peking University, Beijing, 100871
  • Received:1991-04-08 Online:1992-05-24 Published:1992-05-24

PDF (PC)

摘要： 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(C8H8)2和Ce(C8H8)2-的化学键性质。

关键词: 化学键, 二环辛四烯合铈, Ⅹ&alpha, -SW

Abstract: By assigning the bonding forms of dicyclooctatetraenyl cerium as: (1)ion aggregation state Ce4+(C8H8)2-;(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-SWmethod and Ziegler's transition state method.

Key words: Chemical bond, Dicyclooctatetraenyl cerium, Xα-SW

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