Lanthanoid coordination prompts unusually distorted pseudo-octahedral Ni^II coordination in heterodinuclear Ni–Ln complexes: synthesis, structure and understanding of magnetic behaviour through experiment and computation

Abstract

In this work a new family of binuclear NiII−LnIII complexes of formula [NiLn(L)2(NO3)3]•0.5H2O (Ln = Gd, 1; Tb, 2; Dy, 3; Ho, 4; Er, 5; Yb, 6; Y, 7; has...

Insight into ferromagnetic interactions in CuII–LnIII dimers with a compartmental ligand

“…Such functionals are among those usually applied for the calculations of magnetic exchange for 3d–3d/3d–4f/4f–4f complexes. 90–93 First, intramolecular interactions were evaluated for all Cu–Ln complexes, as summarized in Table 1, and the BS-DFT spin densities are shown in Fig. S5 †…”

Halide mediated modulation of magnetic interaction and anisotropy in dimeric Co(ii) complexes

“…Therefore, after transformation of the zero-field splitting parameters of the tetrahedral Co II ion into the coordinate system of the pentagonal-bipyramidal Co II ion, it was possible to fit the experimental magnetic data with the following parameters: J , D 1 (for the pentagonal-bipyramidal Co II ion), E ′ 2 (for the tetrahedral Co II ion), average g -factor and χ TIP (temperature-independent paramagnetism). The data were analysed with the POLYMAGNET program, 53 and both temperature and field-dependent data were treated simultaneously (Fig. 2).…”