Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn(2+) ion: a complete energy matrices study
文献类型：期刊论文
| 作者 | Y. R. Zhao ; M. L. Gao ; Y. F. Li ; C. Lu ; X. Y. Kuang |
| 刊名 | Physica Status Solidi B-Basic Solid State Physics
 |
| 出版日期 | 2009 |
| 卷号 | 246期号:6页码:1351-1356 |
| 关键词 | single-crystals epr-spectra field epr absorption state octamethylpyrophosphoramide temperature phase salts site |
| ISSN号 | 0370-1972 |
| 中文摘要 | A simple theoretical method is introduced for studying the local molecular structure of the (MnO(6))(10) coordination complex. By diagonalizing the complete energy matrices of the electro-electron repulsion, the ligand field and the spin-orbit coupling for a d(5) configuration ion in a trigonal ligand field, the local distortion structure of the (MnO(6))(10) coordination complex for Mn(2-) ions in A PCC:Mn(2+) (PCC) - {[(CH(3))(2)N](2)OPOPO[N(CH(3))(2)](2)} (ClO(4))(2), A - Mg, Zn) complex systems is investigated. Both the second-order zero field splitting parameters b(2)(0) and the fourth-order zero field splitting parameter b(4)(0) are taken simultaneously in the structural investigation. From electron paramagnetic resonance (EPR) calculations, the local structure parameters R = 2.18 angstrom, theta = 56.38 degrees for Mn(2) ions in Mg PCC Mn(2+) and R = 2.20 angstrom, theta = 56.52 degrees for Mn(2+) complex systems are determined, respectively. It is found that the theoretical calculation results of the BPR spectra for Mn(2+) ions in A PCC:Mn(2+) complex systems are in good agreement with the experimental values. (c) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32605]  |
| 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. R. Zhao,M. L. Gao,Y. F. Li,et al. Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn(2+) ion: a complete energy matrices study[J]. Physica Status Solidi B-Basic Solid State Physics,2009,246(6):1351-1356. |
| APA | Y. R. Zhao,M. L. Gao,Y. F. Li,C. Lu,&X. Y. Kuang.(2009).Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn(2+) ion: a complete energy matrices study.Physica Status Solidi B-Basic Solid State Physics,246(6),1351-1356. |
| MLA | Y. R. Zhao,et al."Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn(2+) ion: a complete energy matrices study".Physica Status Solidi B-Basic Solid State Physics 246.6(2009):1351-1356. |
入库方式： OAI收割
来源：金属研究所
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