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 |
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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 |
| _version_ | 1818601531455307776 |
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| author | G. Hempel P. Sotta D. R. Long K. Saalwächter |
| author_facet | G. Hempel P. Sotta D. R. Long K. Saalwächter |
| author_sort | G. Hempel |
| collection | DOAJ |
| description | <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> |
| first_indexed | 2024-12-16T12:52:52Z |
| format | Article |
| id | doaj.art-b6d7319601544e7798d32f86ea14eef5 |
| institution | Directory Open Access Journal |
| issn | 2699-0016 |
| language | English |
| last_indexed | 2024-12-16T12:52:52Z |
| publishDate | 2021-08-01 |
| publisher | Copernicus Publications |
| record_format | Article |
| series | Magnetic Resonance |
| spelling | doaj.art-b6d7319601544e7798d32f86ea14eef52022-12-21T22:31:07ZengCopernicus PublicationsMagnetic Resonance2699-00162021-08-01258960610.5194/mr-2-589-2021Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samplesG. Hempel0P. Sotta1D. R. Long2K. Saalwächter3Martin-Luther-Universität Halle-Wittenberg, Institut für Physik – NMR, Betty-Heimann-Str. 7, 06120 Halle, GermanyIngénierie des Matériaux Polymères, INSA Lyon/CNRS UMR 5223, 17 avenue Jean Capelle, 69621 Villeurbanne CEDEX, FranceUniversité Lyon, INSA Lyon/CNRS, UCBL, MATEIS, UMR5510, 69100 Villeurbanne, FranceMartin-Luther-Universität Halle-Wittenberg, Institut für Physik – NMR, Betty-Heimann-Str. 7, 06120 Halle, Germany<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>https://mr.copernicus.org/articles/2/589/2021/mr-2-589-2021.pdf |
| spellingShingle | G. Hempel P. Sotta D. R. Long K. Saalwächter Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples Magnetic Resonance |
| title | Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples |
| title_full | Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples |
| title_fullStr | Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples |
| title_full_unstemmed | Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples |
| title_short | Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples |
| title_sort | efficient polynomial analysis of magic angle spinning sidebands and application to order parameter determination in anisotropic samples |
| url | https://mr.copernicus.org/articles/2/589/2021/mr-2-589-2021.pdf |
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