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university of Provence - Aix-Marseille I |  |
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university of Provence - Aix-Marseille I | |
| HAL: hal-00518194, version 1 |
| DOI: 10.1021/ja1023282 |
| Detailed view |  Export this paper |
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| Journal of the American Chemical Society 132 (2010) 9488 |
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| An explanation of the adsorption of polar vapours in the highly flexible metal organic framework MIL-53(Cr), |
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| Sandrine Bourrelly 1Alexandre Vimont 2 |
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| (2010) |
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| A comparison of the adsorption of water, methanol, and ethanol polar vapors by the flexible porous chromium(III) terephthalate MIL-53(Cr) was investigated by complementary techniques including adsorption gravimetry, ex situ X-ray powder diffraction, microcalorimetry, thermal analysis, IR spectroscopy, and molecular modeling. The breathing steps observed during adsorption strongly depend on the nature of the vapor. With water, a significant contraction of the framework is observed. For the alcohols, the initial contraction is followed by an expansion of the framework. A combination of IR analysis, X-ray diffraction, and computer modeling leads to the molecular localization of the guest molecules and to the identification of the specific guest−guest and host−guest interactions. The enthalpies of adsorption, measured by microcalorimetry, show that the strength of the interactions decreases from ethanol to water. Differential scanning calorimetry experiments on an EtOH/H2O mixture suggest a selective adsorption of ethanol over water. |
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| 1: | Matériaux divisés, revêtements, électrocéramiques (MADIREL) |
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CNRS : UMR6121 – Université de Provence - Aix-Marseille I |
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| 2: | Laboratoire catalyse et spectrochimie (LCS) |
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CNRS : UMR6506 – Ecole Nationale Supérieure d'Ingénieurs de Caen |
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| 3: | Institut Charles Gerhardt - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICG ICMMM) |
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CNRS : UMR5253 – Université Montpellier I – Université Montpellier II - Sciences et techniques – Ecole Nationale Supérieure de Chimie de Montpellier |
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| 4: | INSTITUT LAVOISIER |
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CNRS : UMR8180 – Université de Versailles Saint-Quentin-en-Yvelines |
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| 5: | Institut Lavoisier, UMR CNRS 8180 |
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Université de Versailles Saint-Quentin-en-Yvelines |
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| 6: | Institut Laue-Langevin (ILL) |
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ILL |
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| Subject | : | Chemical Sciences/Material chemistry |
| hal-00518194, version 1 | |
| http://hal.archives-ouvertes.fr/hal-00518194 | |
| oai:hal.archives-ouvertes.fr:hal-00518194 | |
| From: Guillaume Maurin | |
| Submitted on: Thursday, 16 September 2010 16:55:31 | |
| Updated on: Tuesday, 19 April 2011 09:29:26 | |
