Enhancement of TbIII–CuII Single‐Molecule Magnet Performance through Structural Modification |
| |
| Authors: | María José Heras Ojea Dr. Victoria A. Milway Dr. Gunasekaran Velmurugan Dr. Lynne H. Thomas Dr. Simon J. Coles Dr. Claire Wilson Dr. Wolfgang Wernsdorfer Prof. Gopalan Rajaraman Dr. Mark Murrie |
| |
| Affiliation: | 1. WestCHEM, School of Chemistry, University of Glasgow, Glasgow, UK;2. Department of Chemistry, Indian Institute of Technology Bombay, Mumbai, Maharashtra, India;3. Department of Chemistry, University of Bath, Bath, UK;4. Department of Chemistry, University of Southampton, Southampton, UK;5. CNRS, Inst NEEL & Univ. Grenoble Alpes, Grenoble, France |
| |
| Abstract: | ![]()
We report a series of 3d–4f complexes {Ln2Cu3(H3L)2Xn} (X=OAc?, Ln=Gd, Tb or X=NO3?, Ln=Gd, Tb, Dy, Ho, Er) using the 2,2′‐(propane‐1,3‐diyldiimino)bis[2‐(hydroxylmethyl)propane‐1,3‐diol] (H6L) pro‐ligand. All complexes, except that in which Ln=Gd, show slow magnetic relaxation in zero applied dc field. A remarkable improvement of the energy barrier to reorientation of the magnetisation in the {Tb2Cu3(H3L)2Xn} complexes is seen by changing the auxiliary ligands (X=OAc? for NO3?). This leads to the largest reported relaxation barrier in zero applied dc field for a Tb/Cu‐based single‐molecule magnet. Ab initio CASSCF calculations performed on mononuclear TbIII models are employed to understand the increase in energy barrier and the calculations suggest that the difference stems from a change in the TbIII coordination environment (C4v versus Cs). |
| |
| Keywords: | copper heterometallic complexes lanthanides magnetic properties single-molecule magnets |
|
|
