化学学报 ›› 1987, Vol. 45 ›› Issue (6): 535-540. 上一篇    下一篇

研究论文

Fe-S簇合物的Fe-Fe相互作用及电子结构规律

林振阳;刘春万   

  1. 中国科学院福建物质结构研究所
  • 发布日期:1987-06-15

Fe-Fe interaction and electronic structure rules in the Fe-S cluster compounds

LIN ZHENYANG;LIU CHUNWAN   

  • Published:1987-06-15

关键词: 计算机应用, 铁络合物, 固氮酶, 化学键, 簇状化合物, 电子结构, 分子轨道理论, 双核络合物, 硫络合物, 桥环化合物

The Fe-Fe interactions in the Fe-S cluster compounds have been analyzed in detail by MO theory. The important role of the bridge sulfur for the formation of cluster and the effect of bridge sulfur on the Fe-Fe bonding have been noted. On the basis of theor. anal. the expression of the Fe average valence for Fe-S cluster compounds has been proposed.

Key words: COMPUTER APPLICATIONS, IRON COMPLEX, NITROGENASE, CHEMICAL BONDS, CLUSTER COMPOUND, ELECTRONIC STRUCTURE, MOLECULAR ORBITAL THEORY, DINUCLEAR COMPLEX, SULFIDE COMPLEX, BRIDGE COMPOUNDS

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