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- Title
Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples.
- Authors
Hempel, Günter; Sotta, Paul; Long, Didier R.; Saalwächter, Kay
- Abstract
Chemical shift tensors in 13C 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 13C 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.
- Subjects
PARAMETERS (Statistics); ANISOTROPY; CHEMICAL bonds; NUCLEAR magnetic resonance; POLYCARBONATES
- Publication
Magnetic Resonance, 2021, Vol 2, Issue 2, p589
- ISSN
2699-0016
- Publication type
Article
- DOI
10.5194/mr-2-589-2021