Dynamic Nuclear Polarization NMR of Low-γ Nuclei: Structural Insights into Hydrated Yttrium-Doped BaZrO3.
We demonstrate that solid-state NMR spectra of challenging nuclei with a low gyromagnetic ratio such as yttrium-89 can be acquired quickly with indirect dynamic nuclear polarization (DNP) methods. Proton to (89)Y cross polarization (CP) magic angle spinning (MAS) spectra of Y(3+) in a frozen aqueous solution were acquired in minutes using the AMUPol biradical as a polarizing agent. Subsequently, the detection of the (89)Y and (1)H NMR signals from technologically important hydrated yttrium-doped zirconate ceramics, in combination with DFT calculations, allows the local yttrium and proton environments present in these protonic conductors to be detected and assigned to different hydrogen-bonded environments.
†Department of Chemistry and Stephenson Institute for Renewable Energy, University of Liverpool, Crown Street, Liverpool L69 7ZD, United Kingdom.
Frédéric
F
Blanc
‡Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Luke
L
Sperrin
§Laboratoire de Chimie Inorganique et Biologique, UMR-E 3 (CEA/UJF) and CNRS, Institut Nanosciences et Cryogénie, CEA, 38054 Grenoble, France.
Daniel
D
Lee
‡Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.|∥Department of Chemistry, Stony Brook University, Stony Brook, New York 11794-3400, United States.
Rıza
R
Dervişoğlu
⊥Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan.|#Materials Science, California Institute of Technology, 1200 East California Boulevard, Pasadena, California 91125, United States.
Yoshihiro
Y
Yamazaki
#Materials Science, California Institute of Technology, 1200 East California Boulevard, Pasadena, California 91125, United States.
Sossina M
SM
Haile
§Laboratoire de Chimie Inorganique et Biologique, UMR-E 3 (CEA/UJF) and CNRS, Institut Nanosciences et Cryogénie, CEA, 38054 Grenoble, France.
Gaël
G
De Paëpe
‡Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.|∥Department of Chemistry, Stony Brook University, Stony Brook, New York 11794-3400, United States.
Clare P
CP
Grey
dynamic nuclear polarization; hydrated yttrium-doped barium zirconate; solid-state nuclear magnetic resonance; yttrium-89