Analysis of Ground-state Zero-field Splitting for Mn²⁺ Ions in [Co(H₂O)]XY₆ (X=Si, Sn, Pt; Y=F, Cl)

Abstract

The electron paramagnetic spectra of trigonal Mn²⁺ centers in [Co(H₂O)₆]SiF₆, [Co(H₂O)₆] SnF₆, and [Co(H₂O)₆]PtCl₆ crystals were studied on the basis of the complete energy matrices for a d⁵ configuration ion in a trigonal ligand field. When Mn²⁺ is doped in the [Co(H₂O)₆]SiF₆, [Co(H₂O)₆]SnF₆, and [Co(H₂O)₆]PtCl₆ crystals crystals, there is a similar local distortion. The experimental results show that the local lattice structure around a trigonal Mn²⁺ center has an elongation distortion along the crystalline C₃ axis. From the EPR calculation, the local lattice structure parameters R=2.278A, θ=52.6406° for [Co(H₂O)₆]SiF₆, R=2.280, θ=52.4936° for [Co(H₂O)₆]SnF₆ and R=2.244A, θ=53.0616° for [Co(H₂O)₆]PtCl₆ were determined.

Keywords

[Co(H₂O)₆]SiF₆ / [Co(H₂O)₆]SnF₆ and [Co(H₂O)₆]PtCl₆ / local lattice structure distortion / EPR spectrum / ligand-fields theory