Very Large Swelling in Hybrid Frameworks: A Combined Computational and Powder Diffraction Study.

Using a combination of simulations and powder diffraction, we report here the study of the very large swelling of a three-dimensional nanoporous iron(lll) carboxylate (MIL-88) which exhibits almost a reversible doubling (∼85%) of its cell volume while fully retaining its open-framework topology. The...

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Detalles Bibliográficos
Publicado en:Journal of the American Chemical Society Vol. 127; no. 46; pp. 16273 - 16279
Autores principales: Mellot-Draznieks, Caroline, Serre, Christian, Surblé, Suzy, Audebrand, Nathalie, Fërey, Gérard
Formato: Artículo
Publicado: American Chemical Society 11/23/2005
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Acceso en línea:Ver este registro en EBSCOhost
Descripción
Sumario:Using a combination of simulations and powder diffraction, we report here the study of the very large swelling of a three-dimensional nanoporous iron(lll) 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.