Theoretical Study of Electron Paramagnetic Resonance Spectra and Local Lattice Distortion for Mn^(2+) in Zn(ClO_4)_2·6(H_2O)Mg(ClO_4)_2·6(H_2O)  

作　　者：李菊芬 HUO Jianli WU Xinhui 

机构地区：[1]School of Science, Southwest Petroleum University

出　　处：《Journal of Wuhan University of Technology(Materials Science)》2018年第3期571-574,共4页武汉理工大学学报（材料科学英文版）

基　　金：Funded in Part by the National Natural Science Foundation of China(No.61601384)

摘　　要：The electron paramagnetic resonance（EPR） spectra of trigonal Mn^（2＋） 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 d^5 configuration ion in a trigonal ligand field. It was demonstrated that the local lattice structure around a trigonal Mn^（2＋） center has an compressed distortion along the crystalline c3 axis, and when Mn^（2＋） 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.The electron paramagnetic resonance（EPR） spectra of trigonal Mn^（2＋） 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 d^5 configuration ion in a trigonal ligand field. It was demonstrated that the local lattice structure around a trigonal Mn^（2＋） center has an compressed distortion along the crystalline c3 axis, and when Mn^（2＋） 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.

关 键 词：Zn（ClO4）2·6（H2O）：Mn^2＋ Mg（ClO4）2·6（H2O）：Mn^2＋ systems local lattice structure distortion EPR spectrum ligand-fields theory 

分 类 号：O641.4[理学—物理化学]