Determination of nuclear quadrupolar parameters using singularities in field-swept NMR patterns.

J Chem Phys

Division of Chemistry, Graduate School of Science, Kyoto University, 606-8502 Kyoto, Japan.

Published: October 2016

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Article Abstract

We propose a simple data-analysis scheme to determine the coupling constant and the asymmetry parameter of nuclear quadrupolar interactions in field-swept nuclear magnetic resonance (NMR) for static powder samples. This approach correlates the quadrupolar parameters to the positions of the singularities, which can readily be found out as sharp peaks in the field-swept pattern. Moreover, the parameters can be determined without quantitative acquisition and elaborate calculation of the overall profile of the pattern. Since both experimental and computational efforts are significantly reduced, the approach presented in this work will enhance the power of the field-swept NMR for yet unexplored quadrupolar nuclei. We demonstrate this approach in S in α-S and Cl in chloranil. The accuracy of the obtained quadrupolar parameters is also discussed.

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http://dx.doi.org/10.1063/1.4964302DOI Listing

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