Studying interactions of guests in Metal Organic Frameworks (MOFs) is important for the intelligent design of MOFs for gas adsorption and separation applications. This talk discusses the use of spectroscopic techniques such as Infrared (IR), Raman and X-ray Photoemission (XP) spectroscopy to probe molecular interactions of guests in MOFs. Adsorption mechanism of H2 in unsaturated metal center MOF-74 derived from combined spectroscopic and first principles calculations is discussed.1,2 Subtle changes in the vibrational Raman modes of a framework, a result of CO2 adsorption, are used to uncover gate opening phenomenon in MOFs. Raman spectroscopy is used to explain the selective gate opening pressure dependence on hydrocarbons chain length in RPM-3 framework.3,4 Water cluster formation in the hydrophobic fluorinated MOFs cavities and methane interactions are explored using IR spectroscopy and vdW density functional calculations.5 This talk will also present a recent XP spectroscopy study used to probe nitric oxide and ammonia interactions in HKUST-1. Soft X-rays controllably reduce the unsaturated metal centers resulting in a stronger interaction of nitric oxide to the reduced metal centers as compared to water.6(1) Nijem et al. J. Am. Chem. Soc. 2010  , 132, 1654.(2) Nijem et al. J. Am. Chem. Soc. 2010  , 132, 14834.(3) Nijem et al. J. Am. Chem. Soc. 2011  , 133, 12849.(4) Nijem et al. J. Am. Chem. Soc. 2012  , 134, 15201.(5) Nijem et al. J. Am. Chem. Soc. 2013  , 135, 12615.(6) Nijem et al. Chem. Mat. submitted Mar.2014  .

Spectroscopic methods for probing adsorbate interactions in MOFs

248th National Meeting (2014)

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