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Perspectives of fast magic-angle spinning 87Rb NMR of organic solids at high magnetic fields

Abstract : We report solid-state 87Rb NMR spectra from two Rb-ionophore complexes obtained with fast magic-angle spinning (MAS) (up to 60 kHz) at 21.1 T. These Rb-ionophore complexes containing macrocycles such as benzo-15-crown-5 and cryptand [2.2.2] are typical of organic Rb salts that exhibit very large 87Rb quadrupole coupling constants (close to 20 MHz). We have also obtained static 87Rb NMR spectra for these two compounds and determined both 87Rb quadrupole coupling and chemical shift tensors. The experimental 87Rb NMR tensor parameters are compared with those obtained by quantum chemical computations. Our results demonstrate that the combination of fast MAS (60 kHz or higher) and a high magnetic field (21.1 T or higher) is sufficient to produce high-quality solid-state 87Rb NMR spectra for organic Rb solids at the natural abundance level. We anticipate that, with additional 87Rb isotope enrichment (up to 99%), the sensitivity of solid-state 87Rb NMR will be 400 times higher than 39K NMR, which makes the former an attractive surrogate probe for studying K+ ion binding in biological systems.
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https://hal-cea.archives-ouvertes.fr/cea-02937459
Contributor : Serge Palacin <>
Submitted on : Monday, September 14, 2020 - 8:37:50 AM
Last modification on : Wednesday, October 14, 2020 - 4:21:46 AM

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Gang Wu, Victor V. Terskikh, Alan Wong. Perspectives of fast magic-angle spinning 87Rb NMR of organic solids at high magnetic fields. Magnetic Resonance in Chemistry, Wiley, In press, ⟨10.1002/mrc.5097⟩. ⟨cea-02937459⟩

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