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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 AuthorKuang Xiao-Yu(scu_kxy@163.com)
2009-06-01
Source PublicationPHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
ISSN0370-1972
Volume246Issue:6Pages:1351-1356
AbstractA 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 OrganizationNational Natural Science Foundation ; Doctoral Education Fund of the Education Ministry of China
DOI10.1002/pssb.200844386
Indexed BySCI
Language英语
Funding ProjectNational Natural Science Foundation[10774103] ; National Natural Science Foundation[10374068] ; Doctoral Education Fund of the Education Ministry of China[20050610011]
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000267045400031
PublisherWILEY-BLACKWELL
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/96116
Collection中国科学院金属研究所
Corresponding AuthorKuang Xiao-Yu
Affiliation1.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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