Loading of ionic compounds into metal–organic frameworks: a joint theoretical and experimental study for the case of La3+

Wei Guo; Jinxuan Liu; Peter G. Weidler; Jianxi Liu; Tobias Neumann; Denis Danilov; Wolfgang Wenzel; Claus Feldmann; Christof Wöll

doi:10.1039/C4CP02285H

Loading of ionic compounds into metal–organic frameworks: a joint theoretical and experimental study for the case of La³⁺†

Wei Guo,^a Jinxuan Liu,^a Peter G. Weidler,^a Jianxi Liu,^a Tobias Neumann,^b Denis Danilov,^b Wolfgang Wenzel,^b Claus Feldmann^c and Christof Wöll*^a

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* Corresponding authors

^a Karlsruhe Institute of Technology, Institute of Functional Interfaces (IFG), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany
E-mail: christof.Woell@kit.edu
Fax: +49-(0)721-608-23478
Tel: +49-(0)721-608-23775

^b Karlsruhe Institute of Technology, Institute of Nanotechnologie (INT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany

^c Karlsruhe Institute of Technology, Institute of Inorganic Chemistry, Engesserstraße 15, 3. OG, Room 330, 76344 Karlsruhe, Germany

Abstract

Crystalline, highly orientated surface-anchored MOF thin films, grown on Au substrates, were prepared using liquid-phase epitaxy (LPE). The successful loading of La³⁺ ions into the Cu₃(BTC)₂ (HKUST-1) SURMOFs (surface-mounted metal–organic frameworks) was monitored using X-ray diffraction (XRD). Theoretical calculations using classical force-field based Monte Carlo simulations yield a structure with two La³⁺ ions within the large Cu₃(BTC)₂ pores, in full agreement with experimental results on the composition of these films and the relative intensities of the XRD peaks. Implications of these findings for using MOF thin films for electronic applications are briefly discussed.

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DOI: https://doi.org/10.1039/C4CP02285H
Article type: Paper
Submitted: 24 May 2014
Accepted: 05 Jul 2014
First published: 10 Jul 2014
This article is Open Access

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Phys. Chem. Chem. Phys., 2014,16, 17918-17923

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Loading of ionic compounds into metal–organic frameworks: a joint theoretical and experimental study for the case of La³⁺

W. Guo, J. Liu, P. G. Weidler, J. Liu, T. Neumann, D. Danilov, W. Wenzel, C. Feldmann and C. Wöll, Phys. Chem. Chem. Phys., 2014, 16, 17918 DOI: 10.1039/C4CP02285H

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