Measuring oxygen-phosphorus distances and the orientation of electric field gradient tensors using 17O-[31P] REDOR in phosphate glasses

Solid State Nuclear Magnetic Resonance
M ZeyerC Jaeger

Abstract

Rotational echo double resonance (REDOR) of spin-12 nuclei is an extremely useful tool for the determination of distances in solids as well as of relative orientations of chemical shift and dipole tensors. We present the corresponding version for measuring the relative orientation of electric quadrupole and dipole tensors and demonstrate its applicability for non-bridging oxygens in phosphate glasses using 17O-[31P] REDOR NMR. The orientational information is found in the changes of the second-order quadrupole patterns as a function of the echo delay. Results and numeric simulations are presented for 17O-[31P] REDOR NMR of 17O-enriched sodium phosphate glasses. For non-bridging oxygens, the symmetric quadrupole tensor is found to be aligned along the phosphorus-oxygen bond. The distance between P and the non-bridging oxygen is calculated for two glasses of different compositions.

References

May 1, 1976·Proceedings of the National Academy of Sciences of the United States of America·J S Waugh

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Citations

Dec 14, 2004·Solid State Nuclear Magnetic Resonance·Michaela Zeyer-DüstererChristian Jäger
Jan 11, 2007·Journal of the American Chemical Society·Luming PengClare P Grey
Jun 15, 2006·Analytical Chemistry·Cecil Dybowski, Shi Bai
Jul 17, 2010·Progress in Nuclear Magnetic Resonance Spectroscopy·Ioannis P Gerothanassis

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