Magnetic Anisotropy Trends along a Full 4f-Series: The fn+7 Effect

The combined experimental and computational study of the 13 magnetic complexes belonging to the Na[LnDOTA(H2O)] (H(4)DOTA = tetraazacyclododecane-N,N',N '',N'''-tetraacetic acid and Ln = Ce-Yb) family allowed us to identify a new trend: the orientation of the magnetic anisotropy tensors of derivatives differing by seven f electrons practically coincide. We name this trend the f(n+7) effect. Experiments and theory fully agree on the match between the magnetic reference frames (e.g., the easy, intermediate, and hard direction). The shape of the magnetic anisotropy of some couples of ions differing by seven f electrons might seem instead different at first look, but our analysis explains a hidden similarity. We thus pave the way toward a reliable predictivity of the magnetic anisotropy of lanthanide complexes with a consequent reduced need of computational and synthetical efforts. We also offer a way to gain information on ions with a relatively small total angular momentum (i.e., Sm3+ and Eu3+) and on the radioactive Pm3+, which are difficult to investigate experimentally.

Automated summary

The research identified a new trend named the f(n+7) effect, where magnetic complexes differing by seven f electrons exhibit similar magnetic anisotropy orientations. Experiments and theory confirmed the alignment of magnetic reference frames, and explained hidden similarities between ions with seemingly different shapes of magnetic anisotropy.