Effect of the organic functionalization of flexible MOFs on the adsorption of CO2

Thomas Devic (1) , Fabrice Salles (2) , Sandrine Bourrelly (3) , Béatrice Moulin (4) , Guillaume Maurin (2) , Patricia Horcajada (1) , Christian Serre (1) , Alexandre Vimont (4) , Jean-Claude Lavalley (4) , Hervé Leclerc (4) , Guillaume Clet (4) , Marco Daturi (4) , P. L. Llewellyn (5) , Yaroslav Filinchuk (6) , Gérard Férey (1)

1 ILV - Institut Lavoisier de Versailles
2 ICGM ICMMM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
3 LCP - Laboratoire Chimie Provence
4 LCS - Laboratoire catalyse et spectrochimie
5 MADIREL - Matériaux divisés, interfaces, réactivité, électrochimie
6 IMCN - Institut de la matière condensée et des nanosciences / Institute of Condensed Matter and Nanosciences

The adsorption of CO2 by a series of functionalized flexible MIL-53(Fe) solids has been evaluated through a combination of in situ X-ray power diffraction, adsorption calorimetry, IR spectroscopy and computer modelling. It appears that (i) strongly polar groups maintain the nonporous structure in its closed form due to strong intra-framework interactions and (ii) less polar functional groups allow only a modulation of the CO2 -framework interactions, in some cases with a disappearance of the initial intra-framework µ2 -OH/X hydrogen bonds, but do not interact directly with the CO2 molecules.

Domaines: Chimie théorique et/ou physique; Matériaux

Thomas Devic, Fabrice Salles, Sandrine Bourrelly, Béatrice Moulin, Guillaume Maurin, et al.. Effect of the organic functionalization of flexible MOFs on the adsorption of CO2. Journal of Materials Chemistry, 2012, 22, pp.10266. ⟨10.1039/c2jm15887f⟩. ⟨hal-00695823⟩