Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl | |
Y. X. Hu ; S. Y. Wu ; X. F. Wang ; P. Xu | |
刊名 | Pramana-Journal of Physics
![]() |
2010 | |
卷号 | 74期号:4页码:643-651 |
关键词 | Electron paramagnetic resonance crystal- and ligand-field theory Ir(2+) NaCl transition-metal ions epr spectroscopic investigations atomic screening constants nuclear double-resonance magnetic-resonance superposition model silver-halides spin-resonance scf functions complexes |
ISSN号 | 0304-4289 |
中文摘要 | The electron paramagnetic resonance (EPR) parameters (the g factors, hyperfine structure constants and the superhyperfine parameters) for the tetragonal Ir(2+) centre in NaCl are theoretically investigated from the perturbation formulas of these parameters for a 5d(7) ion in tetragonally elongated octahedra. This impurity centre is attributed to the substitutional [IrCl(6)](4-) cluster on host Na(+) site, associated with the 4% relative elongation along the C (4)-axis due to the Jahn-Teller effect. Despite the ionicity of host NaCl, the [IrCl(6)](4-) cluster still exhibits moderate covalency and then the ligand orbital and spin-orbit coupling contributions should be taken into account. In addition, the theoretical EPR parameters based on the Jahn-Teller elongation show good agreement with the observed values. |
原文出处 | |
公开日期 | 2012-04-13 |
内容类型 | 期刊论文 |
源URL | [http://210.72.142.130/handle/321006/31166] ![]() |
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 | Y. X. Hu,S. Y. Wu,X. F. Wang,et al. Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl[J]. Pramana-Journal of Physics,2010,74(4):643-651. |
APA | Y. X. Hu,S. Y. Wu,X. F. Wang,&P. Xu.(2010).Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl.Pramana-Journal of Physics,74(4),643-651. |
MLA | Y. X. Hu,et al."Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl".Pramana-Journal of Physics 74.4(2010):643-651. |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论