Articles | Volume 2, issue 2
https://doi.org/10.5194/mr-2-589-2021
https://doi.org/10.5194/mr-2-589-2021
Research article
 | 
04 Aug 2021
Research article |  | 04 Aug 2021

Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples

Günter Hempel, Paul Sotta, Didier R. Long, and Kay Saalwächter

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Cited articles

deAzevedo, E. R., Hu, W. G., Bonagamba, T. J., and Schmidt-Rohr, K.: Principles of centerband-only detection of exchange in solid-state nuclear magnetic resonance, and extension to four-time centerband-only detection of exchange, J. Chem. Phys., 112, 8988–9001, https://doi.org/10.1063/1.481511, 2000. a
Djukic, S., Bocahut, A., Bikard, J., and Long, D. R.: Study of Damage Mechanisms of Amorphous and Low Semicrystalline Polymers under Tensile Deformation by Ultrasmall-Angle X-ray Scattering, Macromolecules, 53, 5538–5559, https://doi.org/10.1021/acs.macromol.0c00534, 2020. a
Duer, M. J. (Ed.): Solid-State NMR Spectroscopy: Principles and Applications, Blackwell Science Ltd., Oxford, UK, ISBN 978-0632053513, 2002. a
Griffin, R. G., Pines, A., and Waugh, J. S.: Observation of 13C−14N Dipolar Couplings in Single-Crystals of Glycine, J. Chem. Phys., 63, 3676–3677, https://doi.org/10.1063/1.431768, 1975. a, b
Haberkorn, R. A., Stark, R. E., Vanwilligen, H., and Griffin, R. G.: Determination of bond distances and bond angles by solid-state nuclear magnetic resonance. Carbon-13 and nitrogen-14 NMR study of glycine, J. Am. Chem. Soc., 103, 2534–2539, https://doi.org/10.1021/ja00400a008, 1981. a
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Short summary
We develop an exact analytical description of spinning sideband intensities in magic-angle spinning NMR, e.g., for 13C CSA. This can be used in spectral fitting to obtain tensor parameters and plays out its advantage in the analysis of orientation effects in non-isotropic samples. We present an improved approach to process data obtained with the simple syncMAS experiment, which is powerful but not very popular due to the as yet not very transparent and difficult data analysis.