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-Ru2; Gao Ming-Liang2; Li Yan-Fang2; Lu Cheng2; Kuang Xiao-Yu1,2 | |
刊名 | PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
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2009-06-01 | |
卷号 | 246期号:6页码:1351-1356 |
ISSN号 | 0370-1972 |
DOI | 10.1002/pssb.200844386 |
通讯作者 | Kuang Xiao-Yu(scu_kxy@163.com) |
英文摘要 | 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 |
资助项目 | National Natural Science Foundation[10774103] ; National Natural Science Foundation[10374068] ; Doctoral Education Fund of the Education Ministry of China[20050610011] |
WOS研究方向 | Physics |
语种 | 英语 |
出版者 | WILEY-BLACKWELL |
WOS记录号 | WOS:000267045400031 |
资助机构 | National Natural Science Foundation ; Doctoral Education Fund of the Education Ministry of China |
内容类型 | 期刊论文 |
源URL | [http://ir.imr.ac.cn/handle/321006/96114] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
通讯作者 | Kuang Xiao-Yu |
作者单位 | 1.Acad Sinica, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 2.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China |
推荐引用方式 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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