Heras Ojea, M. J., Milway, V. A., Velmurugan, G., Thomas, L. H., Coles, S. J., Wilson, C. , Wernsdorfer, W., Rajaraman, G. and Murrie, M. (2016) Enhancement of TbIII-CuII single-molecule magnet performance through structural modification. Chemistry: A European Journal, 22(36), pp. 12839-12848. (doi: 10.1002/chem.201601971) (PMID:27484259)
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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).
| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Wilson, Dr Claire and Thomas, Dr Lynne and Milway, Dr Victoria and Murrie, Professor Mark and Heras Ojea, Miss Maria Jose |
| Authors: | Heras Ojea, M. J., Milway, V. A., Velmurugan, G., Thomas, L. H., Coles, S. J., Wilson, C., Wernsdorfer, W., Rajaraman, G., and Murrie, M. |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Chemistry: A European Journal |
| Publisher: | Wiley |
| ISSN: | 0947-6539 |
| ISSN (Online): | 1521-3765 |
| Copyright Holders: | Copyright © 2016 The Authors |
| First Published: | First published in Chemistry: A European Journal 22(36): 12839-12848 |
| Publisher Policy: | Reproduced under a Creative Commons License |
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