Theoretical Study of Electron Paramagnetic Resonance Spectra and Local Lattice Distortion for Mn2+ in Zn（ClO4）2·6（H2O）Mg（ClO4）2·6（H2O）
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition2018年第3期
论文作者：李菊芬 HUO Jianli WU Xinhui
文章页码：571 - 574
摘 要：The electron paramagnetic resonance（EPR） spectra of trigonal Mn2+ centers in Zn（ClO4）2·6（H2O） and Mg（ClO4）2·6（H2O） crystals were studied on the basis of the complete energy matrices for a d5 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 c3 axis, and when Mn2+ is doped in the Zn（ClO4）2·6（H2O） and Mg（ClO4）2·6（H2O） crystals, there is a similar local distortion. From the EPR calculation, the local lattice structure parameters R=2.183 2 ?, for Zn（ClO4）2·6（H2O）, R=2.130 2 ?, for Mg（ClO4）2·6（H2O） have been determined.
李菊芬，HUO Jianli，WU Xinhui
School of Science, Southwest Petroleum University
摘 要：The electron paramagnetic resonance（EPR） spectra of trigonal Mn2+ centers in Zn（ClO4）2·6（H2O） and Mg（ClO4）2·6（H2O） crystals were studied on the basis of the complete energy matrices for a d5 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 c3 axis, and when Mn2+ is doped in the Zn（ClO4）2·6（H2O） and Mg（ClO4）2·6（H2O） crystals, there is a similar local distortion. From the EPR calculation, the local lattice structure parameters R=2.183 2 ?, for Zn（ClO4）2·6（H2O）, R=2.130 2 ?, for Mg（ClO4）2·6（H2O） have been determined.
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