Articles | Volume 2, issue 2
https://doi.org/10.5194/mr-2-589-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/mr-2-589-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Efficient polynomial analysis of magic-angle spinning sidebands and application to order parameter determination in anisotropic samples
Günter Hempel
CORRESPONDING AUTHOR
Martin-Luther-Universität Halle-Wittenberg, Institut für Physik – NMR, Betty-Heimann-Str. 7, 06120 Halle, Germany
Paul Sotta
Ingénierie des Matériaux Polymères, INSA Lyon/CNRS UMR 5223, 17 avenue Jean Capelle, 69621 Villeurbanne CEDEX, France
Didier R. Long
Université Lyon, INSA Lyon/CNRS, UCBL, MATEIS, UMR5510, 69100 Villeurbanne, France
Kay Saalwächter
Martin-Luther-Universität Halle-Wittenberg, Institut für Physik – NMR, Betty-Heimann-Str. 7, 06120 Halle, Germany
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The time evolution of a spin system in NMR can be represented in simple cases by an analytical equation, which is often better suited to promote physical understanding for teaching as well as for scientific discussion than numerical results. A method is presented that can be used to find analytical equations even for moderately complex problems. This is based on the fact that the coefficients of suitable commutator equation systems can be inserted directly into templates for propagation rules.
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A large amount of organic carbon (OC) in soil is protected against decay by bonding to minerals. We studied the release of mineral-bonded OC by NaF–NaOH extraction and H2O2 oxidation. Unexpectedly, extraction and oxidation removed mineral-bonded OC at roughly constant portions and of similar age distributions, irrespective of mineral composition, land use, and soil depth. The results suggest uniform modes of interactions between OC and minerals across soils in quasi-steady state with inputs.
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We believe that, in addition to nontrivial theoretical interest, the proposed work offers experimenters a reliable time interval in which the experimentally measured signal allows for a relatively simple interpretation uncomplicated by contributions from three-particle dynamical correlations of having spin nuclei in condensed matter.
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Revised manuscript accepted for MR
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The time evolution of a spin system in NMR can be represented in simple cases by an analytical equation, which is often better suited to promote physical understanding for teaching as well as for scientific discussion than numerical results. A method is presented that can be used to find analytical equations even for moderately complex problems. This is based on the fact that the coefficients of suitable commutator equation systems can be inserted directly into templates for propagation rules.
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Investigations of metal–organic frameworks are presented. This substance class is of interest for applications in gas storage (hydrogen, methane), separation, catalysis, and sensor technology. The properties of the material depend on the mobility of alkyl or alkyloxy side chains. We have determined that the side-chain methylene groups move highly anisotropically with a relatively short correlation time. Furthermore, we could improve the analysis procedure for the experiment used here.
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A large amount of organic carbon (OC) in soil is protected against decay by bonding to minerals. We studied the release of mineral-bonded OC by NaF–NaOH extraction and H2O2 oxidation. Unexpectedly, extraction and oxidation removed mineral-bonded OC at roughly constant portions and of similar age distributions, irrespective of mineral composition, land use, and soil depth. The results suggest uniform modes of interactions between OC and minerals across soils in quasi-steady state with inputs.
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Related subject area
Field: Solid-state NMR | Topic: Applications – materials
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Investigations of metal–organic frameworks are presented. This substance class is of interest for applications in gas storage (hydrogen, methane), separation, catalysis, and sensor technology. The properties of the material depend on the mobility of alkyl or alkyloxy side chains. We have determined that the side-chain methylene groups move highly anisotropically with a relatively short correlation time. Furthermore, we could improve the analysis procedure for the experiment used here.
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Short summary
We develop an exact analytical description of spinning sideband intensities in magic-angle spinning NMR, e.g., for 13C CSA. This can be used in spectral fitting to obtain tensor parameters and plays out its advantage in the analysis of orientation effects in non-isotropic samples. We present an improved approach to process data obtained with the simple syncMAS experiment, which is powerful but not very popular due to the as yet not very transparent and difficult data analysis.
We develop an exact analytical description of spinning sideband intensities in magic-angle...