Magnetism in Ln Molecular Systems with 4f/valence-shell interplay (FV-Magnetism)

The hunt for the high-performance single-molecule magnets (SMM) revealed that atomic and molecular lanthanide systems combining 4f-shell and valence magnetism (FV-magnetism) may show magnetic bistability up to unexpectedly high temperatures. Here we rationalize the stability of the magnetism in the FV-systems from first principles on the example of LnII(CpiPr5 )2 molecules.