The magnetic anisotropy and assembling of the lanthanide coordination units in [Fe(bpca)2][Er(NO3)3(H2O)4]NO3

The magnetic properties of the title compound are discussed in correlation with the molecular and crystal structure. The bimetallic complex [Fe(bpca)2][Er(NO3)3(H2O)4](NO3) (where Hbpca = bis(2-pyridilcarbonyl)amine) crystallizes in the triclinic space group P1¯ exhibiting stacks of [Fe(bpca)2]+ and [Er(NO3)3(H2O)4] entities connected by hydrogen bonds. The [Er(NO3)3(H2O)4] units are connected by hydrogen bonds established between coordinated aqua and nitrate ligands. Static and dynamic magnetic properties are reported. The complex exhibits the magnetization lag in ac magnetic field of 10–1400 Hz, above 1.8 K, under a static magnetic field. The ab initio calculations, including ligand field and spin orbit effects illuminated the anisotropy properties of the lanthanide ions in the complex, revealing the orientation and extension of the lobes corresponding to the easy magnetization axes.

Graphical abstractThe magnetic properties of the title compound are discussed in correlation with the molecular and crystal structure. The [Er(NO3)3(H2O)4] units are connected via hydrogen bonds. Static and dynamic magnetic properties are reported. The ab initio calculations and subsequent modeling revealed the lobes of the easy magnetization axes.Figure optionsDownload full-size imageDownload as PowerPoint slide