Strong-coupling induced damping of spin-echo modulations in magic-angle-spinning NMR:implications for J coupling measurements in disordered solids

Guerry, Paul and Brown, Steven P. and Smith, Mark E. (2017) Strong-coupling induced damping of spin-echo modulations in magic-angle-spinning NMR:implications for J coupling measurements in disordered solids. Journal of Magnetic Resonance, 283. pp. 22-32. ISSN 1090-7807

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Abstract

Abstract In the context of improving J coupling measurements in disordered solids, strong coupling effects have been investigated in the spin-echo and refocused INADEQUATE spin-echo (REINE) modulations of three- and four-spin systems under magic-angle spinning (MAS), using density matrix simulations and solid-state NMR experiments on a cadmium phosphate glass. Analytical models are developed for the different modulation regimes, which are shown to be distinguishable in practice using Akaike’s information criterion. REINE modulations are shown to be free of the damping that occurs for spin-echo modulations when the observed spin has the same isotropic chemical shift as its neighbour. Damping also occurs when the observed spin is bonded to a strongly-coupled pair. For mid-chain units, the presence of both direct and relayed damping makes both REINE and spin-echo modulations impossible to interpret quantitatively. We nonetheless outline how a qualitative comparison of the modulation curves can provide valuable information on disordered networks, possibly also pertaining to dynamic effects therein.

Item Type:
Journal Article
Journal or Publication Title:
Journal of Magnetic Resonance
Additional Information:
This is the author’s version of a work that was accepted for publication in Journal of Magnetic Resonance. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Magnetic Resonance, 283, 2017 DOI: 10.1016/j.jmr.2017.08.006
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/3100/3106
Subjects:
Departments:
ID Code:
87410
Deposited By:
Deposited On:
22 Aug 2017 08:06
Refereed?:
Yes
Published?:
Published
Last Modified:
19 Sep 2020 04:44