Very Large Swelling in Hybrid Frameworks: A Combined Computational and Powder Diffraction Study
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- 28 October 2005
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 127 (46) , 16273-16278
- https://doi.org/10.1021/ja054900x
Abstract
Using a combination of simulations and powder diffraction, we report here the study of the very large swelling of a three-dimensional nanoporous iron(III) carboxylate (MIL-88) which exhibits almost a reversible doubling (∼85%) of its cell volume while fully retaining its open-framework topology. The crystal structure of the open form of MIL-88 has been successfully refined and indicates that atomic displacements larger than 4 Å are observed when water or various alcohols are adsorbed in the porous structure, revealing an unusually flexible crystallized framework. X-ray thermodiffractometry shows that only a displacive transition occurs during the swelling phenomenon, ruling out any bond breaking.Keywords
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