Graham, K., Douglas, F.J., Mathieson, J.S., Moggach, S.A., Schnack, J. and Murrie, M. (2011) Cubic assembly of a geometrically frustrated {Fe12} spin cluster. Dalton Transactions, 40(45), pp. 12271-12276. (doi: 10.1039/C1DT10910C)
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Abstract
We describe an S<sub>4</sub>-symmetric {Fe<sub>12</sub>} spin cluster [Fe<sub>12</sub>O<sub>4</sub>(OH)<sub>2</sub>(L)<sub>4</sub>(OAc)<sub>8</sub>][Cl]<sub>2</sub> {H<sub>4</sub>L = (HOCH<sub>2</sub>CH<sub>2</sub>)<sub>2</sub>NCH<sub>2</sub>CH<sub>2</sub>N(CH<sub>2</sub>CH<sub>2</sub>OH)<sub>2</sub>} where the iron(III) centres describe a squashed hexagonal antiprism. The clusters pack into a large cubic cell with circular cavities, lined by weak C–H O interactions, and a unit cell volume of over 60 000 Å<sup>3</sup> containing large solvent accessible voids. The core of the cluster is stable in solution, as confirmed by electrospray mass spectrometry. The cluster possesses a non-trivial, frustrated S = 0 ground state, due to the presence of multiple competing antiferromagnetic interactions. The finite temperature Lanczos method has been employed to calculate the temperature dependent magnetic properties of an analogous dodecanuclear S<sub>i</sub> = 3/2 model spin system, in order to reduce the very large Hilbert space. Three archetypal models with two independent exchange coupling parameters have been employed that render a low temperature feature possible, as seen in the χ vs. T plot for the {Fe<sub>12</sub>} spin cluster.
| Item Type: | Articles |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Murrie, Professor Mark |
| Authors: | Graham, K., Douglas, F.J., Mathieson, J.S., Moggach, S.A., Schnack, J., and Murrie, M. |
| Subjects: | Q Science > QD Chemistry |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Dalton Transactions |
| Journal Abbr.: | Dalton Trans. |
| ISSN: | 1477-9226 |
| Published Online: | 14 September 2011 |
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