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Site-resolved 2H relaxation experiments in solid materials by global line-shape analysis of MAS NMR spectra
RISE, Innventia.
2016 (English)In: Journal of Magnetic Resonance - Series A, ISSN 1064-1858, E-ISSN 1096-0864, Vol. 268, 18-24 p.Article in journal (Refereed) Published
Abstract [en]

We investigate a way one can achieve good spectral resolution in 2H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the 2H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two 2H spin populations with similar chemical shifts but different quadrupole splittings. In 2H-exchanged cellulose containing two 2H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics.

Place, publisher, year, edition, pages
2016. Vol. 268, 18-24 p.
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:ri:diva-16288DOI: 10.1016/j.jmr.2016.04.014Scopus ID: 2-s2.0-84967017601OAI: oai:DiVA.org:ri-16288DiVA: diva2:1039541
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cited By 1

Available from: 2016-10-24 Created: 2016-10-24 Last updated: 2016-10-31Bibliographically approved

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