Craig, G. A., Velmurugan, G., Wilson, C. , Valiente, R., Rajaraman, G. and Murrie, M. (2019) Magnetic properties of a family of [MnIII4LnIII4] wheel complexes: an experimental and theoretical study. Inorganic Chemistry, 58(20), pp. 13815-13825. (doi: 10.1021/acs.inorgchem.9b01592) (PMID:31588739)
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Abstract
The chelating ligand 1,3-bis(tris(hydroxymethyl)methylamino)propane (H6L) has been used to synthesize a family of octanuclear heterometallic complexes with the formula (NMe4)3[Mn4Ln4(H2L)3(H3L)(NO3)12] (Ln = La (1), Ce (2), Pr (3), Nd (4)). Encapsulation by the ligand causes the Mn(III) centers to lie in an unusually distorted (∼C2v) environment, which is shown by density functional theory and complete active space self-consistent field calculations to impact on the magnetic anisotropy of the Mn(III) ion. The theoretical study also supports the experimental observation of a ferromagnetic superexchange interaction between the Mn(III) ions in 1, despite the ions being separated by the diamagnetic La(III) ion. The optical properties of the compounds show that the distortion of the Mn(III) ions leads to three broad absorption bands originating from the transition metal ion, while the Nd(III) containing complex also displays some weak sharp features arising from the lanthanide f–f transitions.
| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Wilson, Dr Claire and Craig, Dr Gavin and Murrie, Professor Mark |
| Authors: | Craig, G. A., Velmurugan, G., Wilson, C., Valiente, R., Rajaraman, G., and Murrie, M. |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Inorganic Chemistry |
| Publisher: | American Chemical Society |
| ISSN: | 0020-1669 |
| ISSN (Online): | 1520-510X |
| Copyright Holders: | Copyright © 2019 American Chemical Society |
| First Published: | First published in Inorganic Chemistry 58(20):13815-13825 |
| Publisher Policy: | Reproduced under a Creative Commons License |
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