Efficient polynomial analysis of MAS spinning sidebands and application to order parameter determination in anisotropic samples
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 lineshapes 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 5 than the common numerical solution of the powder average. The approach plays out its advantages in the determination of CST principal values from spinning-sideband intensities and order parameters in non-isotropic samples, which is here illustrated on the example of stretched glassy polycarbonate.
