Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)
文献类型：期刊论文
| 作者 | C. J. Fu ; S. Y. Wu ; Y. X. Hu ; X. F. Wang ; W. H. Wei |
| 刊名 | Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences
 |
| 出版日期 | 2009 |
| 卷号 | 64期号:5-6页码:387-392 |
| 关键词 | Crystal- and ligand fields K(2)PdX(4) (X = Cl Electron paramagnetic resonance (EPR) Br) Cu(2+) charge-transfer transitions atomic screening constants liquid-membrane scf functions crystal complexes spectra resonance cucl42 model |
| ISSN号 | 0932-0784 |
| 中文摘要 | The EPR parameters g factors g(parallel to), g(perpendicular to) and the hyperfine structure constants A(parallel to) and A(perpendicular to) for the square planar Cu(2+) centers in K(2)PdX(4) (X = Cl, Br) are theoretically investigated from the perturbation formulas of these parameters for a 3d(9) ion under tetragonally elongated octahedra. In these formulas, not only the contributions from the conventional crystal-field (CF) mechanism, but also those from the charge-transfer (CT) mechanism are taken into account. The related molecular orbital coefficients are uniformly determined from the cluster approach, and the tetragonal field parameters Ds and Dt are obtained from the superposition model and the local structures of the systems. Based oil only one adjustable parameter, the present results are in reasonable agreement with the observed Values. Importance of the charge-transfer contributions is more significant for ligand Br than that for Cl due to the stronger covalency and much larger spin-orbit coupling coefficient of the former. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/31905]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | C. J. Fu,S. Y. Wu,Y. X. Hu,et al. Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)[J]. Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,2009,64(5-6):387-392. |
| APA | C. J. Fu,S. Y. Wu,Y. X. Hu,X. F. Wang,&W. H. Wei.(2009).Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br).Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences,64(5-6),387-392. |
| MLA | C. J. Fu,et al."Investigations on the EPR Parameters for the Square Planar Cu(2+) Centers in K(2)PdX(4) (X = Cl, Br)".Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences 64.5-6(2009):387-392. |
入库方式： OAI收割
来源：金属研究所
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