论文部分内容阅读
本文借助EHMO法得到的Mulliken集居数和经验公式,讨论了过渡金属原子簇分子构型的稳定性和桥基与金属原子形成的平面距离D对其稳定性的影响。指出可用D值与实验上得到的距离d值的差别,判断过渡金属原子簇化合物金属—金属作用的强弱。
Based on the Mulliken population number and empirical formula obtained by EHMO method, the stability of molecular configuration of transition metal clusters and the influence of planar distance D between bridge and metal atoms on their stability are discussed. It is pointed out that the difference between the available D value and the experimentally obtained distance d can be used to judge the metal-metal interaction of transition metal cluster compounds.