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

Abstract

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

CLC Number:

O641
O611.662

Cite this article

LIN ZHENYANG;LIU CHUNWAN. Fe-Fe interaction and electronic structure rules in the Fe-S cluster compounds[J]. Acta Chimica Sinica, 1987, 45(6): 535-540.

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Fe-S簇合物的Fe-Fe相互作用及电子结构规律