摘要
对具有相同价电子数的双核钼和双核铬的同样配体的簇合物进行分子轨道理论的研究具有重要的意义,可以揭示出络合物中金属—金属间成键的本质和规律。本文用半经验分子轨道理论的问略微分重叠(INDO)法和Edmiston-Ruedenberg定域化方法来计算双核钼、铬的氯簇合物(MO_2Cl_9^(3-)和Cr_2Cl_9^(3-)的分子轨道,着重探讨钼—钼间和铬—铬问的成键情况。
It is very significant to use molecule orbit theory to investigate binuclear molybdenum and chromic cluster complexes of the same number of valency electrons. It will reveal the bond essence and rule between Metal-Metal. In this paper, the molecule orbits of binuclear molybdenum and chromic chlorine cluster complexes are calculated using INDO method and Edmiston-Ruedenberg fixed-region method.
出处
《北京石油化工学院学报》
1999年第2期48-52,共5页
Journal of Beijing Institute of Petrochemical Technology
