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NMR on Metal-Organic Frameworks (cooperation with AK Prof. Kaskel)

Metal-Organic Frameworks (MOF´s) represent a novel class of hybrid materials built from inorganic clusters and multifunctional organic linkers. The resulting two- or three dimensional network structures exhibit special characteristics such as high porosity, large specific surface area, and a high thermal stability. Numerous applications such as in gas purification, gas storage, catalysis, and separation processes are recently discussed.

NMR spectroscopy is a well-established tool for the investigation of porous materials. In particular, we use 129Xe and 13C MAS NMR spectroscopy in order to characterize MOF´s as well as their interactions with adsorbed species.

 

129Xe NMR Spectroscopy:

129Xe NMR spectroscopy offers a variety of interesting parameters encoding information about the surface and pore system of porous materials. It is particualarly suitable for the characterization of flexible frameworks to detect structural transformations such as the so-called gate-pressure-effect. Depending on pressure and temperature, these flexible compounds show reversible structural changes during adsorption/desorption of several molecules (e.g. nitrogen, xenon).




Fig. is quoting from [1]


Using a home-made high-pressure apparatus we are able to measure Xenon adsorption/desorption isortherms and isobars of MOF´s. The apparatus allows for in situ regulation of Xenon pressure, i.e., inside the NMR magnet.



Fig. is quoting from [1]

13C MAS NMR Spectroscopy:

13C MAS NMR Spectroscopy is an excellent tool for the characterization of Metal-Organic Frameworks as well as the dynamic behavior of several structural groups.





 [1] H.C. Hoffmann, B. Assfour, F. Epperlein, N. Klein, S. Paasch, I. Senkovska, S. Kaskel, G. Seifert, E. Brunner, High-Pressure in situ 129Xe NMR Spectroscopy and Computer Simulations of Breathing Transitions in the Metal-Organic Framework Ni2(2,6-ndc)2(dabco) {DUT-8(Ni), J. Am. Chem. Soc., 133 (2011) 8681–8690

 
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