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EPR investigation of local structure for the [Mn(H2O)6]2+ cluster in M(ClO4)2 · 6H2O:Mn2+ (M = Cd, Hg) systems at different temperatures

Local lattice structure distortion studies of the octahedral Mn 2+ center in M(ClO 4 ) 2 · 6H 2 O:Mn 2+ (M = Cd, Hg) systems have been performed systematically based on the diagonalization of the complete energy matrices of electron-electron repulsion, spin-orbit coupling and trigonal ligand-field interaction for a d 5 configuration ion in a trigonal ligand field. From the EPR calculation, the local structure distortion parameters R and θ are determined, respectively. Results show that the local lattice structure around a trigonal Mn 2+ center has a compressed distortion along the crystalline C 3 axis. The compression distortion may be ascribed to the fact that the radius of the Mn 2+ ion is smaller than that of the Hg 2+ ion and the Cd 2+ ion. The local lattice structure parameters for Mn 2+ in M(ClO 4 ) 2 · 6H 2 O:Mn 2+ (M = Cd, Hg) systems are determined at liquid-nitrogen temperature and room temperature.