The Bond Properties of Cerium Halide

Abstract

Abstract: With the aid of Ziegler' s transition state method and the improved Xa-SWmethod, the bond properties of cerium halide are analyzed energetically.The result shows that, the cova-lent bond of Ce-X(Xrepresents halogen) is mainly due to the 5d and 4f orbitals of cerium) The spin unpairedly occupied molecular orbital is primarily composed of the 4f orbital of cerium; Some of the spin pairedly occupied molecular orbitals are formed by the considerable mixture of the 4f orbital of cerium and the orbitals of halogen; The action of ionic bond is principal for CeF₃, however, the action of ionic bond is not evidently different from that of covalent bond for the other halides.

Key words: Cerium halide, Chemical bond, Xa-SW

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WANG Yi. The Bond Properties of Cerium Halide[J]. Chem. J. Chinese Universities, 1992, 13(4): 506.

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The Bond Properties of Cerium Halide

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