Details

Autor(en) / Beteiligte

• Devic, Thomas
• Horcajada, Patricia
• Serre, Christian
• Salles, Fabrice
• Maurin, Guillaume
• Moulin, Béatrice
• Heurtaux, Daniela
• Clet, Guillaume
• Vimont, Alexandre
• Grenèche, Jean-Marc
• Ouay, Benjamin Le
• Moreau, Florian
• Magnier, Emmanuel
• Filinchuk, Yaroslav
• Marrot, Jerôme
• Lavalley, Jean-Claude
• Daturi, Marco
• Férey, Gérard

Titel

Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host−Guest Interactions

Ist Teil von

• Journal of the American Chemical Society, 2010-01, Vol.132 (3), p.1127-1136

Ort / Verlag

United States: American Chemical Society

Erscheinungsjahr

2010

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The synthesis on the gram scale and characterization of a series of flexible functionalized iron terephthalate MIL-53(Fe) type solids are reported. Chemical groups of various polarities, hydrophilicities, and acidities (−Cl, −Br, −CF3, −CH3, −NH2, −OH, −CO2H) were introduced through the aromatic linker, to systematically modify the pore surface. X-ray powder diffraction (XRPD), molecular simulations, thermogravimetric analyses, and in situ IR and 57Fe Mössbauer spectrometries indicate some similarities with the pristine MIL-53(Fe) solid, with the adoption of the narrow pore form for all solids in both the hydrated and dry forms. Combined XRPD and computational structure determinations allow concluding that the geometry of the pore opening is predominantly correlated with the intraframework interactions rather than the steric hindrance of the substituent. Only (MIL-53(Fe)-(CF3)2) exhibits a nitrogen accessible porosity (S BET ≈ 100 m2 g−1). The adsorption of some liquids leads to pore openings showing some very specific behaviors depending on the guest−MIL-53(Fe) framework interactions, which can be related to the energy difference between the narrow and large pore forms evaluated by molecular simulation.