A thermodynamic description of the adsorption-induced structural transitions in flexible MIL-53 metal-organic framework

François-Xavier Coudert (1) , Anne Boutin (2) , Alain H. Fuchs (1)

1 IRCP - Institut de Recherche de Chimie Paris
2 PASTEUR - Processus d'Activation Sélective par Transfert d'Energie Uni-électronique ou Radiatif (UMR 8640)

We briefly review the concept of temperature-loading phase diagram that we derived from an osmotic statistical ensemble analysis of the adsorption-induced structural transitions observed in the MIL-53 family of metal-organic framework nanoporous materials. We highlight the generic nature of this diagram and comment on the occurrence of breathing transitions depending on the guest fluid, the framework functionalisation and the nature of the metal centre.

Domaines: Chimie; Chimie théorique et/ou physique; Matériaux

François-Xavier Coudert, Anne Boutin, Alain H. Fuchs. A thermodynamic description of the adsorption-induced structural transitions in flexible MIL-53 metal-organic framework. Molecular Physics, 2014, 112 (9-10), pp.1257-1261. ⟨10.1080/00268976.2014.889325⟩. ⟨hal-02116918⟩