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Natural Abundance Oxygen-17 Solid-State NMR of Metal Organic Frameworks Enhanced by Dynamic Nuclear Polarization

preprint
submitted on 13.06.2020 and posted on 16.06.2020 by Diego Carnevale, Georges Mouchaham, Sujing Wang, Mathieu Baudin, Christian Serre, Geoffrey Bodenhausen, Daniel Abergel
The 17O resonances of Zirconium-oxo clusters that can be found in porous Zr carboxylate metal-organic frameworks (MOFs) have been investigated by magic-angle spinning (MAS) NMR spectroscopy enhanced by dynamic nuclear polarization (DNP). High-resolution 17O spectra at 0.037 % natural abundance could be obtained in 48 hours, thanks to DNP enhancement of the 1H polarization by factors e(1H) = Swith/Swithout = 28, followed by 117O cross-polarization, allowing a saving in experimental time by a factor of ca. 800. The distinct 17O sites from the oxo-clusters can be resolved at 18.8 T. Their assignment is supported by density functional theory (DFT) calculations of chemical shifts and quadrupolar parameters.

History

Email Address of Submitting Author

diego.carnevale@ens.fr

Institution

ENS Paris

Country

France

ORCID For Submitting Author

0000-0002-2275-0764

Declaration of Conflict of Interest

No conflict of interest

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