Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu(2+) Centers in Ca(OH)(2)
文献类型：期刊论文
| 作者 | H. M. Zhang ; S. Y. Wu ; Z. H. Zhang |
| 刊名 | Acta Physica Polonica A
 |
| 出版日期 | 2011 |
| 卷号 | 120期号:3页码:507-511 |
| 关键词 | electron-paramagnetic-resonance superposition model cr3+ ions epr crystals portlandite spectrum esr |
| ISSN号 | 0587-4246 |
| 中文摘要 | The spin Hamiltonian parameters (g factors g(parallel to), g(perpendicular to) and the hyperfine structure constants A(parallel to), A(perpendicular to)) and the local structures for the two tetragonal Cu(2+) centers I and II in Ca(OH)(2) are theoretically studied from the perturbation formulae of these parameters for a 3d(9) ion under tetragonally elongated octahedra. The [Cu(OH)(6)](4-) clusters on the substitutional Ca(2+) site are found to suffer the relative elongations by about 0.083 angstrom and 0.065 angstrom for centers I and II, respectively, along the C(4) axis due to the Jahn-Teller effect. The above etragonal elongations may entirely depress the original trigonal distortion of the host Ca(2+) site in Ca(OH)(2). The calculated spin Hamiltonian parameters based on the above Jahn-Teller elongations show good agreement with the experimental results. The EPR spectra and the local structures for the two centers are compared with one another. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/30881]  |
| 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 | H. M. Zhang,S. Y. Wu,Z. H. Zhang. Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu(2+) Centers in Ca(OH)(2)[J]. Acta Physica Polonica A,2011,120(3):507-511. |
| APA | H. M. Zhang,S. Y. Wu,&Z. H. Zhang.(2011).Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu(2+) Centers in Ca(OH)(2).Acta Physica Polonica A,120(3),507-511. |
| MLA | H. M. Zhang,et al."Theoretical Studies of the Spin Hamiltonian Parameters and Local Structures for the Two Tetragonal Cu(2+) Centers in Ca(OH)(2)".Acta Physica Polonica A 120.3(2011):507-511. |
入库方式： OAI收割
来源：金属研究所
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