INDO studies on electronic structures of (C8H8)Ln(2,4-C7H11)(THF) (Ln=Nd, Sm, Er)

被引:0
|
作者
Wang, ZZ
FENG, JN
Zhang, SB
Liu, JZ
机构
[1] JILIN UNIV, INST THEORET CHEM, CHANGCHUN 130023, PEOPLES R CHINA
[2] JILIN UNIV, DEPT CHEM, CHANGCHUN 130023, PEOPLES R CHINA
关键词
INDO; electronic structure; rare earth compound;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
INDO SCF calculations on the complexes of (C8H8)Ln(2,4-C7H11) (THF) (Ln = Nd, Sm, Er) indicate that although the f-electrons are essentially Localized on the metal, 5d orbitals,of the metal interact significantly with the ligand orbitals which plays a major role in the bonding. Furthermore, we have discussed the molecular geometries.
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页码:151 / 158
页数:8
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