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。 The electronic structure of 3d cyclopentadiene sandwich was studied by EHMO method. The results show that the chemical bond of cyclopentadienyl ligand and transition metal, Cp-M, contains three bond types of σ, π and δ. The bond is dominated by π, and the σ and δ bonds are mainly contributed by the metal orbital. The effects of these three bond types on the stability of 3d transition metal cyclopentadienyl sandwich compounds were discussed.