| Institution: | 1. Laboratoire Chimie Provence (UMR 6264), Universités Aix‐Marseille I, II et III ‐ CNRS, Centre de Saint Jér?me, 13397 Marseille cedex 20 (France), Fax: (+33)?491‐637‐111;2. Institut Charles Gerhardt Montpellier (UMR 5253), Université Montpellier II, CNRS, ENSCM, Place E. Bataillon, 34095 Montpellier cedex 05 (France), Fax: (+33)?4 67 14 42 90;3. Laboratoire Catalyse et Spectrochimie, ENSICAEN, Université de Caen, CNRS, 6 Bd Maréchal Juin, 14050 Caen (France);4. Institut Lavoisier (CNRS 8180), CNRS ‐ Université de Versailles St Quentin en Yvelines, 45 avenue des Etats‐Unis, 78035 Versailles (France) |
| Abstract: | In addition to its high thermal stability, repetitive hydration/dehydration tests have revealed that the porous zirconium terephthalate UiO‐66 switches reversibly between its dehydroxylated and hydroxylated versions. The structure of its dehydroxylated form has thus been elucidated by coupling molecular simulations and X‐ray powder diffraction data. Infrared measurements have shown that relatively weak acid sites are available while microcalorimetry combined with Monte Carlo simulations emphasize moderate interactions between the UiO‐66 surface and a wide range of guest molecules including CH4, CO, and CO2. These properties, in conjunction with its significant adsorption capacity, make UiO‐66 of interest for its further evaluation for CO2 recovery in industrial applications. This global approach suggests a strategy for the evaluation of metal–organic frameworks for gas‐based applications. |
