Spin-orbit effects in metal-metal multiple bonded M2X8 halide complexes

被引:0
作者
Hernández-Acevedo, L [1 ]
Arrata-Pérez, R [1 ]
机构
[1] Univ Andres Bello, Fac Ecol & Recursos Nat, Dept Ciencias Quim, Santiago, Chile
来源
JOURNAL OF THE CHILEAN CHEMICAL SOCIETY | 2004年 / 49卷 / 04期
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Dirac molecular spinor calculations on the Re2Cl82-, Re2Br82-, Os2Cl82- (both staggered and eclipsed isomers), Os-2 Br-8(2-) and Os2I82- cluster ions are reported. Here we report the calculations of the spin-orbit splitting affecting the metal and ligand core-like states and also affecting the pi and delta metal-metal bonds. We also compare the calculated molecular spin-orbit splitting against the calculated atomic spin-orbit splitting, and, against available experimental data.
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页码:361 / 365
页数:5
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