高等学校化学学报 ›› 1987, Vol. 8 ›› Issue (2): 159.

• 论文 • 上一篇    下一篇

3d夹心化合物的电子结构

郭纯孝, 沈尔中, 刘举正   

  1. 吉林大学化学系理论化学研究所
  • 收稿日期:1985-10-22 出版日期:1987-02-24 发布日期:1987-02-24

Electron Structure of 3d Metal Sandwich Compounds

Guo Chuoxiao, Shen Erzhong, Liu Juzheng   

  1. Department of Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun
  • Received:1985-10-22 Online:1987-02-24 Published:1987-02-24

摘要: 用EHMO方法研究了3d环戊二烯夹心化合物的电子结构。结果表明环戊二烯配位体和过渡金属的化学键,Cp-M,含有σ、π和δ三种键型。以π给予键为主,σ和δ键主要是金属轨道的贡献。讨论了这三种键型对3d过渡金属环戊二烯夹心化合物稳定性的影响。

Abstract: 3d metal-cyclopentadienyl sandwich compounds have been analyzed in detail by EHMO procedure. The results show that the chemical bond between cyclopentadienyl ligand and transition metal, Cp-M should involve three types of σ-, π-and δ-bond, in which π-bond is pricipal component and σ, δ-bond are mainly contributed by the metal orbitals. The effect of three bond types on the stability of these compounds was also discussed.

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