摘要
本文应用SCC—EHMO方法研究了3个含桥硫双金属配合物[Fe_2S_2(NO)_1]^(2-)、[(NO)_2FeS_2MoS_2]^(2-)和[Cl_2FeS_2MoS_2]^(2-)的电子结构。根据计算所得的分子轨道能级、特征和Mulliken重叠集居等数据,对其成键性质进行了详细的分析。探讨了桥硫及端基配体对形成配合物的重要作用以及对金属—金属间相互作用的影响。
The electronic structures of three bridge sulfur bimetallic complexes have been studied by using the SCC-EHMO method, and the bonding properties are analyzed in detail on the basis of MO energies, MO characters and Mulliken overlap 1opulations. The important role of the bridge sulfur and terminal ligand for the formation of complexes and the effect of bridge sulfur and terminal ligand on the metal-metal bonding have been noted.
出处
《福建师范大学学报（自然科学版）》
CAS
CSCD
1992年第2期53-59,共7页
Journal of Fujian Normal University：Natural Science Edition
