Articles | Volume 2, issue 2
Magn. Reson., 2, 545–555, 2021
https://doi.org/10.5194/mr-2-545-2021

Special issue: Geoffrey Bodenhausen Festschrift

Magn. Reson., 2, 545–555, 2021
https://doi.org/10.5194/mr-2-545-2021

Research article 06 Jul 2021

Research article | 06 Jul 2021

Application of multiplet structure deconvolution to extract scalar coupling constants from 1D nuclear magnetic resonance spectra

Damien Jeannerat and Carlos Cobas

Cited articles

Berger, S.: A quarter of a century of SERF: The progress of an NMR pulse sequence and its application, Prog. Nucl. Mag. Res. Sp., 108, 74–114, https://doi.org/10.1016/j.pnmrs.2018.10.001, 2018. 
Bothner-By, A. A. and Dadok, J.: Useful manipulations of the free induction decay, J. Mag. Reson., 72, 540–543, https://doi.org/10.1016/0022-2364(87)90158-2, 1987. 
Cobas, C., Seoane, F., and Sykora, S.: Global Spectral Deconvolution (GSD) of 1D-NMR spectra, Stan's Library, Volume II, https://doi.org/10.3247/sl2nmr08.011, 2008. 
Cobas, J. C., Constantino-Castillo, V., Martin-Pastor, M., and del Rio-Portilla, F.: A two-stage approach to automatic determination of 1H NMR coupling constants, Magn. Reson. Chem., 43, 843–848, https://doi.org/10.1002/mrc.1623, 2005. 
del Río Portilla, F., and Freeman, R.: Measurement of Spin Coupling Constants by Decoupling and Reconvolution, J. Magn. Reson. Ser. A, 104, 358–362, https://doi.org/10.1006/jmra.1993.1236, 1993. 
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Short summary
Nuclear magnetic resonance spectroscopy is at the forefront of analytical methods used in organic chemistry and phytochemistry. Multiplet structure deconvolution has been revisited in the perspective of a robust integration in the computer-assisted workflow of 1D spectra analysis. New features include the management of coupling partners with spin > 1/2, second-order effects and partial signal overlap.