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See-Saw Shaped Dy(III) Single-Molecule Magnets with High Anisotropy Barriers

submitted on 21.01.2020, 15:58 and posted on 22.01.2020, 13:21 by Katie L. M. Harriman, Jesse Murillo, Elizaveta A. Suturina, Skye Fortier, Muralee Murugesu

Utilizing a terphenyl bisanilide ligand, two Dy(III) complexes [K(DME)x][LArDy(X)2] (LAr = {C6H4[(2,6-iPrC6H3)NC6H4]2}2-), X = Cl (1) and X = I (2) were synthesized. The ligand imposes an unusual see-saw shaped molecular geometry leading to a coordinatively unsaturated complex with near-linear N-Dy-N (avg. 159.9° for1 and avg. 160.3o for 2) bond angles. These complexes exhibit Single-Molecule Magnet (SMM) behavior with significant uniaxial magnetic anisotropy as a result of the transverse coordination of the bisanlide ligand which yields high energy barriers to magnetic spin reversal of Ueff = 1334 K/ 927cm-1 (1) and 1299 K/ 903 cm-1 (2) in zero field. Magneto-structural correlations are discussed with the goal of finding a link between halide ancillary ligands in the structurally analogous complexes and the through barrier relaxation dynamics observed in the ac magnetic susceptibility, despite the similar dc magnetic susceptibility for compounds 1 and 2. Ab initio calculations reveal that the dominant crystal field of the bisanilide ligand controls the orientation of the main magnetic axis which runs nearly parallel to the N-Dy-N bonds, and defines the height of the energy barrier. Thus, further validating the use of transverse ligands to enhance the SMM properties of Dy(III) ions.


Welch Foundation

University of Ottawa

Canadian Foundation for Innovation


Alfred P. Sloan Foundation

National Science Foundation


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University of Texas at El Paso



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