Metal-organic framework (MOF) complexes, constructed via combination of metal nodes with designed polychelate bridging ligands, are important hybrid materials that can show permanent porosity and excellent gas storage capabilities. We report the synthesis and structure of a unique non-amine-containing porous solid NOTT-300 in which hydroxyl groups within the pores bind selectively to CO2. NOTT-300 exhibits highly selective uptake of CO2 versus N2, CH4, H2, CO, O2, Ar, and in situ powder X-ray diffraction (PXRD) and inelastic neutron scattering (INS) studies, combined with density functional theory (DFT) modelling, reveal that these hydroxyl groups bind CO2 via the formation of O=C=O(d-)���H(d+)�O hydrogen bonds. These are reinforced further by weak supramolecular interactions with C-H hydrogen atoms on the phenyl rings. This offers exciting potential for the application of new capture systems based on the soft binding of CO2 via the use of an �easy-on� and �easy-off� model.

Gas storage and selectivity in porous metal organic framework materials

244th National Meeting (2012)

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