Spins on a curved surface: an FeIII14 ferracalixarene

Ayuk M. Ako; Yanhua Lan; Valeriu Mereacre; Eliseo Ruiz; Daniel Aravena; Christopher E. Anson; Annie K. Powell

doi:10.1039/C3DT50345C

Spins on a curved surface: an Fe^III₁₄ ferracalixarene†

Ayuk M. Ako,*^ab Yanhua Lan,^a Valeriu Mereacre,^a Eliseo Ruiz,*^c Daniel Aravena,^c Christopher E. Anson^a and Annie K. Powell*^ab

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* Corresponding authors

^a Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Engesserstr. 15, D-76131 Karlsruhe, Germany
E-mail: annie.powell@kit.edu, manase.ayuk@kit.edu
Fax: +49-721-608-48142
Tel: +49-721-608-42135

^b Institute of Nanotechnology, Karlsruhe Institute of Technology, Postfach 3640, D-76021 Karlsruhe, Germany

^c Departament de Química Inorgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain

Abstract

The synthesis of the high-nuclearity Fe^III₁₄ coordination cluster [Fe₁₄(μ₃-O)₆(μ₃-OH)₄(μ-OH)₃Cl₁₁(dea)₄(Hdea)₃]Cl·H₂O·27MeCN (1) is reported (in which deaH₂ = diethanolamine). X-ray crystallographic analysis revealed that compound 1 crystallises in the cubic space group Im [3 with combining macron] with Z = 24 and 8 independent Fe centres. Unusually for an Fe^III coordination cluster, the Fe^III centres in 1 adopt a range of 4, 5 and 6 coordinate geometries. Complex 1 presents a ferracalixarene topology which can be described in terms of a “half tennis ball” structure and binds a chloride anion guest via multiple hydrogen bonds. The curvature in the structure induced by this topology affects the overall spin structure. A ground spin state of S = 7 is proposed using a combination of magnetic susceptibility data and density functional theory (DFT) calculations.

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Article information

DOI: https://doi.org/10.1039/C3DT50345C
Article type: Paper
Submitted: 04 Feb 2013
Accepted: 14 Apr 2013
First published: 15 Apr 2013

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Dalton Trans., 2013,42, 9606-9612

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Spins on a curved surface: an Fe^III₁₄ ferracalixarene

A. M. Ako, Y. Lan, V. Mereacre, E. Ruiz, D. Aravena, C. E. Anson and A. K. Powell, Dalton Trans., 2013, 42, 9606 DOI: 10.1039/C3DT50345C

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