Magneto-structural correlation of hexakis-dmso cobalt(ii) complex

Abstract

The magnetostructural correlation of the hexakis-dmso cobalt(II) complex, [Co(dmso)₆](BPh₄)₂ (dmso: dimethylsulfoxide), was investigated by single-crystal X-ray diffraction study and magnetic measurements. The magnetic analysis concluded the negative Δ value (H = Δ(L²_z − 2/3) + E(L²_x − L²_y) − (3/2)κλL·S + β[−(3/2)κL_u + g_eS_u]·H_u (u = x, y, z)), and this was explained by the tetragonal elongation of the octahedral geometry. The magnetostructural correlation was ascertained by both the angular overlap model calculation and the density functional theory calculation.