Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals
文献类型：期刊论文
| 作者 | W. C. Zheng ; D. T. Zhang ; P. Su ; H. G. Liu |
| 刊名 | Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
 |
| 出版日期 | 2011 |
| 卷号 | 81期号:1页码:548-551 |
| 关键词 | Electron paramagnetic resonance Optical spectrum Crystal- and ligand-field theory Tutton Salts Cu(2+) atomic screening constants gyromagnetic factor scf functions copper(ii) field model ions spin |
| ISSN号 | 1386-1425 |
| 中文摘要 | The optical band positions and EPR g factors (i =x, y, z) of Cu(H(2)O)(6)(2+) clusters in pure Tutton salts M(2)Cu(SO(4))(2)center dot 6H(2)O (M= NH(4), Rb) are calculated from the complete diagonalization (of energy matrix) method based on the cluster approach. In the calculation, the superposition model with the structural data is used to obtain the crystal-field parameters. The calculated results are in reasonable agreement with the experimental values, suggesting that the complete diagonalization method and superposition model are effective in the studies of optical and EPR data. The g factors g(i) of Cu(H(2)O)(6)(2+) clusters in Cu(2+) doped isomorphous diamagnetic Tutton salts M(2)Zn(SO(4))(2)center dot 6H(2)O are also studied from the same method. It is found that the approximately tetragonally compressed Zn(H(2)O)(6)(2+) octahedra in the host crystals change to the approximately tetragonally elongated Cu(H(2)O)(6)(2+) octahedra in the impurity centers. The causes concerning the Jahn-Teller effect are discussed. It appears that in some cases the octahedral environment of an impurity M(1) in crystals differs from that of the replaced host ion, but is close to the one in the isomorphous pure crystals where M(1) is the host ion rather than the impurity ion. (C) 2011 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30977]  |
| 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 | W. C. Zheng,D. T. Zhang,P. Su,et al. Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2011,81(1):548-551. |
| APA | W. C. Zheng,D. T. Zhang,P. Su,&H. G. Liu.(2011).Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,81(1),548-551. |
| MLA | W. C. Zheng,et al."Studies of the optical band positions and EPR g factors for Cu(H(2)O)(6)(2+) centers in Tutton salt crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 81.1(2011):548-551. |
入库方式： OAI收割
来源：金属研究所
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