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231225s2021 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.5128
|2 doi
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|a pubmed24n1064.xml
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|a (DE-627)NLM319372545
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|a (NLM)33373086
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Hung, Ivan
|e verfasserin
|4 aut
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|a Field-stepped ultra-wideline NMR at up to 36 T
|b On the inequivalence between field and frequency stepping
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|c 2021
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 09.09.2021
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|a Date Revised 07.11.2023
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2020 John Wiley & Sons, Ltd.
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|a Field-stepped NMR spectroscopy at up to 36 T using the series-connected hybrid (SCH) magnet at the U.S. National High Magnetic Field Laboratory is demonstrated for acquiring ultra-wideline powder spectra of nuclei with very large quadrupolar interactions. Historically, NMR evolved from the continuous-wave (cw) field-swept method in the early days to the pulsed Fourier-transform method in the modern era. Spectra acquired using field sweeping are generally considered to be equivalent to those acquired using the pulsed method. Here, it is shown that field-stepped wideline spectra of half-integer spin quadrupolar nuclei acquired using WURST/CPMG methods can be significantly different from those acquired with the frequency-stepped method commonly used with superconducting magnets. The inequivalence arises from magnetic field-dependent NMR interactions such as the anisotropic chemical shift and second-order quadrupolar interactions; the latter is often the main interaction leading to ultra-wideline powder patterns of half-integer spin quadrupolar nuclei. This inequivalence needs be taken into account to accurately and correctly determine the quadrupolar coupling and chemical shift parameters. A simulation protocol is developed for spectral fitting to facilitate analysis of field-stepped ultra-wideline NMR spectra acquired using powered magnets. A MATLAB program which implements this protocol is available on request
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|a Journal Article
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|a field stepping
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|a quadrupole nuclei
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|a simulations
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|a solid-state NMR
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4 |
|a wideline
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|a Altenhof, Adam R
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Schurko, Robert W
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Bryce, David L
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Han, Oc Hee
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Gan, Zhehong
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 59(2021), 9-10 vom: 03. Sept., Seite 951-960
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
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|g volume:59
|g year:2021
|g number:9-10
|g day:03
|g month:09
|g pages:951-960
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|u http://dx.doi.org/10.1002/mrc.5128
|3 Volltext
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