Cubic assembly of a geometrically frustrated {Fe12} spin cluster.

Kristoffer Graham, Fraser J. Douglas, Jennifer S. Mathieson, Stephen A. Moggach, Juergen Schnack, Mark. Murrie

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

We describe an S4-sym. {Fe12} spin cluster [Fe12O4(OH)2(L)4(OAc)8][Cl]2 {H4L = (HOCH2CH2)2NCH2CH2N(CH2CH2OH)2} where the iron(iii) centers 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 vol. of over 60 000 Å3 contg. large solvent accessible voids. The core of the cluster is stable in soln., 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 temp. Lanczos method has been employed to calc. the temp. dependent magnetic properties of an analogous dodecanuclear Si = 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 temp. feature possible, as seen in the χ vs. T plot for the {Fe12} spin cluster. [on SciFinder(R)]
Original languageUndefined/Unknown
Pages (from-to)12271-12276
Number of pages6
JournalDalton Transactions
Issue number45
Publication statusPublished - 2011

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