Dy3 and Gd3 Complexes with Dy3 Exhibiting Field-Induced Single-Molecule Magnet Behaviour

Two trinuclear complexes of formulae [Dy3(mu 3-H2O)(hmp)3(CH3COO)3] ( 1 ) and [Gd3(mu 3- H2O)(hmp)3(CH3COO)3] ( 2 ) were synthesized by employing Dy(CH3COO)3middot6H2O and Gd(CH3COO)3middot6H2O as lanthanide sources and a Schiff-base H2hmp (H2hmp = 2-(((2-hydroxy-3-methoxybenzyl)imino)methyl)-5-methoxyphenol) as a ligand. Single crystal X-ray diffraction analyses reveal that compounds 1 and 2 are isostructural. The three LnIII ions are bridged by three doubly-deprotonated Schiff-base ligands hmp2 -, three acetate ions and one mu 3-H2O molecule, forming a regular triangle structure (Ln...Ln...Ln angles of 60 degrees, and Ln...Ln distances of 3.812 A for 1 , and 3.838 A for 2 ). Magnetic property studies for 1 and 2 indicate that complex 1 displays field-induced single-molecule magnet (SMM) behavior, and there are weak antiferromagnetic interactions among three Gd III ions in complex 2 . The main magnetic axes on DyIII ions of 1 are calculated by complete-active-space self-consistent field (CASSCF) calculations.(c) 2022 Elsevier B.V. All rights reserved.

Automated summary

Two trinuclear complexes, [Dy3(mu 3-H2O)(hmp)3(CH3COO)3] (1) and [Gd3(mu 3-H2O)(hmp)3(CH3COO)3] (2), were synthesized and their crystal structures and magnetic properties were investigated. Complex 1 exhibits field-induced single-molecule magnet behavior, while complex 2 shows weak antiferromagnetic interactions.