Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples
<p>Chemical shift tensors in <span class="inline-formula"><sup>13</sup></span>C solid-state NMR provide valuable localized information on the chemical bonding environment in organic matter, and deviations from isotropic static-limit powder line shapes sensitiv...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Copernicus Publications
2021-08-01
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| Series: | Magnetic Resonance |
| Online Access: | https://mr.copernicus.org/articles/2/589/2021/mr-2-589-2021.pdf |
| Summary: | <p>Chemical shift tensors in <span class="inline-formula"><sup>13</sup></span>C solid-state NMR provide valuable localized information on the chemical bonding environment in organic matter, and deviations from isotropic static-limit powder line shapes sensitively encode dynamic-averaging or orientation effects. Studies in <span class="inline-formula"><sup>13</sup></span>C natural abundance require magic-angle spinning (MAS), where the analysis must thus focus on spinning sidebands. We propose an alternative fitting procedure for spinning sidebands based upon a polynomial expansion that is more efficient than the common numerical solution of the powder average. The approach plays out its advantages in the determination of CST (chemical-shift tensor) principal values from spinning-sideband intensities and order parameters in non-isotropic samples, which is here illustrated with the example of stretched glassy polycarbonate.</p> |
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| ISSN: | 2699-0016 |