某些簇合物金属—金属键性质的研究

A STUDY ON THE NATURE OF METAL-METAL BONDS OF SOME CLUSTERS

采用CNDO法对某些金属簇合物进行理论计算,在杂化轨道基础上对它们的金属—金属键进行了Mulliken集居分析.结果表明,金属—金属键中存在d·pπ键,d·pπ键与簇合物骨架的几何构型密切相关.此外,金属—金属键是弯键.

In this paper, some metal clusters are computed by CNDO and their metal梞etal bonds are studied using the Mulliken population analysis based on hybrid orbitals. The results show that the metal梞etal bonds are of the d-p n type and that the configurations of metal cluaters are in close relationship with the d-p?r bonds. In addition, the metal梞etal bonds are bent bonds.