Exchange of coordinated solvent during crystallisation of a metal-organic framework observed by in situ high energy X-ray diffraction.

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Wu, Y ; Breeze, MI ; Clarkson, GJ ; Millange, F ; O'Hare, D ; Walton, RI (2016)
  • Publisher: Wiley - V C H Verlag GmbH & Co. KGaA
  • Journal: Angewandte Chemie (International ed. in English), volume 55, issue 16 (issn: 1433-7851, eissn: 1521-3773)
  • Related identifiers: doi: 10.1002/anie.201600896
  • Subject: QD

Using time-resolved monochromatic high energy X-ray diffraction, we present an in situ study of the solvothermal crystallisation of a new MOF [Yb2 (BDC)3 (DMF)2 ]⋅H2 O (BDC=benzene-1,4-dicarboxylate and DMF=N,N-dimethylformamide) under solvothermal conditions, from mixed water/DMF solvent. Analysis of high resolution powder patterns obtained reveals an evolution of lattice parameters and electron density during the crystallisation process and Rietveld analysis shows that this is due to a gradual topochemical replacement of coordinated solvent molecules. The water initially coordinated to Yb(3+) is replaced by DMF as the reaction progresses.
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    [*] M. I. Breeze,[+] Dr. G. J. Clarkson, Prof. R. I. Walton Department of Chemistry, University of Warwick Coventry, CV4 7AL (UK) r.i.walton@ Dr. Y. Wu,[+] Prof. D. O'Hare Department of Chemistry, University of Oxford Oxford, OX1 3TA (UK) Dr. F. Millange D partement de Chimie Universit de Versailles-St-Quentin-en-Yvelines 45 Avenue des tats-Unis, 78035 Versailles cedex (France) [+] These authors contributed equally to this work. Supporting information for this article can be found under: 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

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