| Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn2+ ion: a complete energy matrices study | |
| Zhao Ya-Ru1; Gao Ming-Liang1; Li Yan-Fang1; Lu Cheng1; Kuang Xiao-Yu1,2 | |
| Corresponding Author | Kuang Xiao-Yu(scu_kxy@163.com) |
| 2009-06-01 | |
| Source Publication | PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
 |
| ISSN | 0370-1972 |
| Volume | 246Issue:6Pages:1351-1356 |
| Abstract | A simple theoretical method is introduced for studying the local molecular structure of the (MnO6)(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 (MnO6)(10) coordination complex for Mn2- ions in A PCC:Mn2+ (PCC) - {[(CH3)(2)N](2)OPOPO[N(CH3)(2)](2)} (ClO4)(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 Mn2+ and R = 2.20 angstrom, theta = 56.52 degrees for Mn2+ complex systems are determined, respectively. It is found that the theoretical calculation results of the BPR spectra for Mn2+ ions in A PCC:Mn2+ complex systems are in good agreement with the experimental values. (c) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
| Funding Organization | National Natural Science Foundation ; Doctoral Education Fund of the Education Ministry of China |
| DOI | 10.1002/pssb.200844386 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation[10774103] ; National Natural Science Foundation[10374068] ; Doctoral Education Fund of the Education Ministry of China[20050610011] |
| WOS Research Area | Physics |
| WOS Subject | Physics, Condensed Matter |
| WOS ID | WOS:000267045400031 |
| Publisher | WILEY-BLACKWELL |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/96116 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Kuang Xiao-Yu |
| Affiliation | 1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Zhao Ya-Ru,Gao Ming-Liang,Li Yan-Fang,et al. Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn2+ ion: a complete energy matrices study[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,2009,246(6):1351-1356. |
| APA | Zhao Ya-Ru,Gao Ming-Liang,Li Yan-Fang,Lu Cheng,&Kuang Xiao-Yu.(2009).Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn2+ ion: a complete energy matrices study.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,246(6),1351-1356. |
| MLA | Zhao Ya-Ru,et al."Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn2+ ion: a complete energy matrices study".PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 246.6(2009):1351-1356. |
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