Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster

Graham K, Douglas FJ, Mathieson JS, Moggach SA, Schnack J, Murrie M (2011)
Dalton Transactions 40(45): 12271-12276.

Journal Article | Published | English

No fulltext has been uploaded

Author
; ; ; ; ;
Abstract
We describe an S(4)-symmetric {Fe(12)} spin cluster [Fe(12)O(4)(OH)(2)(L)(4)(OAc)(8)][Cl](2) {H(4)L = (HOCH(2)CH(2))(2) NCH(2)CH(2)N(CH(2)CH(2)OH)(2)} 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 center dot center dot center dot O interactions, and a unit cell volume of over 60 000 angstrom(3) 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(i) = 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 chi vs. T plot for the {Fe(12)} spin cluster.
Publishing Year
ISSN
eISSN
PUB-ID

Cite this

Graham K, Douglas FJ, Mathieson JS, Moggach SA, Schnack J, Murrie M. Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster. Dalton Transactions. 2011;40(45):12271-12276.
Graham, K., Douglas, F. J., Mathieson, J. S., Moggach, S. A., Schnack, J., & Murrie, M. (2011). Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster. Dalton Transactions, 40(45), 12271-12276.
Graham, K., Douglas, F. J., Mathieson, J. S., Moggach, S. A., Schnack, J., and Murrie, M. (2011). Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster. Dalton Transactions 40, 12271-12276.
Graham, K., et al., 2011. Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster. Dalton Transactions, 40(45), p 12271-12276.
K. Graham, et al., “Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster”, Dalton Transactions, vol. 40, 2011, pp. 12271-12276.
Graham, K., Douglas, F.J., Mathieson, J.S., Moggach, S.A., Schnack, J., Murrie, M.: Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster. Dalton Transactions. 40, 12271-12276 (2011).
Graham, Kristoffer, Douglas, Fraser J., Mathieson, Jennifer S., Moggach, Stephen A., Schnack, Jürgen, and Murrie, Mark. “Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster”. Dalton Transactions 40.45 (2011): 12271-12276.
This data publication is cited in the following publications:
This publication cites the following data publications:

3 Citations in Europe PMC

Data provided by Europe PubMed Central.

A bilayer triangular lattice with crown-like Co(7) spin cluster SBUs exhibiting high spin frustration.
Li YM, Lun HJ, Xiao CY, Xu YQ, Wu L, Yang JH, Niu JY, Xiang SC., Chem. Commun. (Camb.) 50(62), 2014
PMID: 24955442
Synthesis, structural and magnetic characterisation of iron(II/III), cobalt(II) and copper(II) cluster complexes of the polytopic ligand: N-(2-pyridyl)-3-carboxypropanamide.
Russell ME, Hawes CS, Ferguson A, Polson MI, Chilton NF, Moubaraki B, Murray KS, Kruger PE., Dalton Trans 42(37), 2013
PMID: 23900212

48 References

Data provided by Europe PubMed Central.


Ferguson, Dalton Trans. (), 2008

Shova, Zh. Strukt. Khim. 39(), 1998

Altomare, J. Appl. Crystallogr. 27(), 1994

Betteridge, J. Appl. Crystallogr. 36(), 2003

Sluis, Acta Crystallogr., Sect. A: Found. Crystallogr. 46(), 1990

Schnack, Eur. Phys. J. B 78(), 2010
Lanczos method for the calculation of finite-temperature quantities in correlated systems.
Jaklic J, Prelovsek P., Phys. Rev., B Condens. Matter 49(7), 1994
PMID: 10011449

Liu, Inorg. Chem. 32(), 1993

Nicholson, Organometallics 29(), 2010

Braga, J. Am. Chem. Soc. 117(), 1995

Desiraju, Acc. Chem. Res. 29(), 1996

Wood, CrystEngComm 10(), 2008

Barbour, Chem. Commun. (), 2006

Macrae, J. Appl. Crystallogr. 41(), 2008
Unravelling the complexities of polyoxometalates in solution using mass spectrometry: protonation versus heteroatom inclusion.
Long DL, Streb C, Song YF, Mitchell S, Cronin L., J. Am. Chem. Soc. 130(6), 2008
PMID: 18201085

Cooper, Angew. Chem., Int. Ed. 46(), 2007

Miras, Chem. Commun. (), 2009

Schröder, Phys. Rev. B: Condens. Matter Mater. Phys. 77(), 2008

Gorun, Inorg. Chem. 30(), 1991

Weihe, J. Am. Chem. Soc. 119(), 1997

Le, Inorg. Chim. Acta 262(), 1997

Chen, J. Phys. Chem. A 105(), 2001
Magnetostructural correlations in polynuclear complexes: the Fe4 butterflies.
Cauchy T, Ruiz E, Alvarez S., J. Am. Chem. Soc. 128(49), 2006
PMID: 17147382

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Sources

PMID: 21915427
PubMed | Europe PMC

Search this title in

Google Scholar