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Origins of linewidth in ¹H magic-angle spinning NMR

Zorin, V.E.; Brown, S.P.; Hodgkinson, P.

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Authors

V.E. Zorin

S.P. Brown



Abstract

A detailed study of the factors determining the linewidth (and hence resolution) in 1H solid-state magic-angle spinning NMR is described. Although it has been known from the early days of magic-angle spinning (MAS) that resolution of spectra from abundant nuclear spins, such as 1H, increases approximately linearly with increasing sample rotation rate, the difficulty of describing the dynamics of extended networks of coupled spins has made it difficult to predict a priori the resolution expected for a given sample. Using recently developed, highly efficient methods of numerical simulation, together with experimental measurements on a variety of test systems, we propose a comprehensive picture of 1H resolution under MAS. The "homogeneous" component of the linewidth is shown to depend primarily on the ratio between an effective local coupling strength and the spin rate, modified by geometrical factors which loosely correspond to the "dimensionality" of the coupling network. The remaining "inhomogeneous" component of the natural linewidth is confirmed to have the same properties as in dilute-spin NMR. Variations in the NMR frequency due to chemical shift effects are shown to have minimal impact on 1H resolution. The implications of these results for solid-state NMR experiments involving 1H and other abundant-spin nuclei are discussed.

Citation

Zorin, V., Brown, S., & Hodgkinson, P. (2006). Origins of linewidth in ¹H magic-angle spinning NMR. The Journal of Chemical Physics, 125(14), https://doi.org/10.1063/1.2357602

Journal Article Type Article
Publication Date Oct 14, 2006
Deposit Date May 11, 2007
Publicly Available Date Apr 26, 2011
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 125
Issue 14
DOI https://doi.org/10.1063/1.2357602
Public URL https://durham-repository.worktribe.com/output/1544325

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Copyright Statement
Copyright (2006) American Institute of Physics.
This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
Zorin, V. E. and Brown, S. P. and Hodgkinson, P. (2006) 'Origins of linewidth in 1H magic-angle spinning NMR.', Journal of chemical physics., 125(14): 144508.
and may be found at http://dx.doi.org/10.1063/1.2357602






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