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Improving the sensitivity of J coupling measurements in solids with application to disordered materials
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Guerry, Paul, Brown, Steven P. and Smith, Mark E. (2016) Improving the sensitivity of J coupling measurements in solids with application to disordered materials. AIP Advances, 6 (5). 055008. doi:10.1063/1.4948965
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Official URL: http://dx.doi.org/10.1063/1.4948965
Abstract
It has been shown previously that for magic angle spinning (MAS) solid state NMR the refocused INADEQUATE spin-echo (REINE) experiment can usefully quantify scalar (J) couplings in disordered solids. This paper focuses on the two z filter components in the original REINE pulse sequence, and investigates by means of a product operator analysis and fits to density matrix simulations the effects that their removal has on the sensitivity of the experiment and on the accuracy of the extracted J couplings. The first z filter proves unnecessary in all the cases investigated here and removing it increases the sensitivity of the experiment by a factor ∼1.1–2.0. Furthermore, for systems with broad isotropic chemical shift distributions (namely whose full widths at half maximum are greater than 30 times the mean J coupling strength), the second z filter can also be removed, thus allowing whole-echo acquisition and providing an additional √2 gain in sensitivity. Considering both random and systematic errors in the values obtained, J couplings determined by fitting the intensity modulations of REINE experiments carry an uncertainty of 0.2–1.0 Hz (∼1−10 %).
| Item Type: | Journal Article | ||||||||
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| Subjects: | Q Science > QC Physics | ||||||||
| Divisions: | Faculty of Science > Physics | ||||||||
| Library of Congress Subject Headings (LCSH): | Particles (Nuclear physics), Solids, Nuclear magnetic resonance spectroscopy | ||||||||
| Journal or Publication Title: | AIP Advances | ||||||||
| Publisher: | American Institute of Physics | ||||||||
| ISSN: | 2158-3226 | ||||||||
| Official Date: | 4 May 2016 | ||||||||
| Dates: |
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| Date of first compliant deposit: | 20 June 2016 | ||||||||
| Volume: | 6 | ||||||||
| Number: | 5 | ||||||||
| Article Number: | 055008 | ||||||||
| DOI: | 10.1063/1.4948965 | ||||||||
| Status: | Peer Reviewed | ||||||||
| Publication Status: | Published | ||||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC), University of Lancaster | ||||||||
| Grant number: | EP/C000633/1 |
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