Theoretical Study of Electron Paramagnetic Resonance Spectra and Local Lattice Distortion for Mn2+ in Zn(ClO4)2 • 6(H2O) Mg(ClO4)2 • 6(H2O)

被引:0
|
作者
Li Jufen [1 ]
Huo Jianli [1 ]
Wu Xinhui [1 ]
机构
[1] Southwest Petr Univ, Sch Sci, Chengdu 610065, Sichuan, Peoples R China
来源
JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION | 2018年 / 33卷 / 03期
基金
中国国家自然科学基金;
关键词
Zn(ClO4)(2) center dot 6(H2O): Mn2+; Mg(ClO4)(2) center dot 6(H2O): Mn2+ systems; local lattice structure distortion; EPR spectrum; ligand-fields theory; PHASE-TRANSITIONS; EPR; IONS; RELAXATION;
D O I
10.1007/s11595-018-1862-4
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The electron paramagnetic resonance (EPR) spectra of trigonal Mn2+ centers in Zn(ClO4)(2) center dot 6(H2O) and Mg(ClO4)(2) center dot 6(H2O) crystals were studied on the basis of the complete energy matrices for a d(5) configuration ion in a trigonal ligand field. It was demonstrated that the local lattice structure around a trigonal Mn2+ center has an compressed distortion along the crystalline c(3) axis, and when Mn2+ is doped in the Zn(ClO4)(2) center dot 6(H2O) and Mg(ClO4)(2) center dot 6(H2O) crystals, there is a similar local distortion. From the EPR calculation, the local lattice structure parameters R=2.183 2 angstrom, for Zn(ClO4)(2) center dot 6(H2O), R=2.130 2 angstrom, for Mg(ClO4)(2) center dot 6(H2O) have been determined.
引用
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页码:571 / 574
页数:4
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