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The electronic structure and chemical bonding of[Ce(CO_3)_3O_2]_2~(8-) have been studied by INDO(Intermediate Neglect of Differentiated Overlap)method in this paper.The results obtained show that theHOMO of[Ce(CO_3)_3O_2]_2~(8-) is mainly composed of the anti-bonding π orbitals of the pcroxide ion(O_2~(2-))and the LUMO is mainly composed of the 4f orbitals of the Ce(Ⅳ).The peroxide ion coordinates to ceric ionby means of σ and π dative bonds.After coordination the O-O bond of the peroxide ions is strengthened.Bycomparison with cerous complexes,the contribution of the 4f orbitals to bonding increases in the ceric com-plex. 相似文献
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辐射交联热收缩材料在输变电系统绝缘防护中的应用ApplicationofCross-linkThermalShrinkageMaterialforProtectiononTransmissionInsulations深圳长园新材料有限公司兰桂刚(深圳... 相似文献
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