This study explores the interaction of small gases into MOFs using IR and Raman spectroscopy. MOFs containing either saturated or unsaturated metal centers are attractive materials for hydrogen storage and CO2 capture applications. In this study, we examine previous assumptions made on the spectroscopic property of adsorbed gases. We find no correlation between the vibrational shifts and induced dipole moment of adsorbed H2 and its binding energy; instead, these parameters depend on the symmetry and nature of interaction with the framework. For instance, the long range H2-H2 interactions in MOF-74-M (M=Zn, Mg and Co) with unsaturated metal centers leads to notable spectral changes of H2 adsorbed at the metal center site. Using Raman spectroscopy, we derive a mechanistic mechanism for structural changes occurring in a flexible MOF, associated with the occurrence of gate opening phenomena in the adsorption of CO2, ethylene and ethane.

Spectroscopic characterization of guest-host interactions in Metal Organic Frameworks (MOFs)

243rd National Meeting (2012)

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