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Article

NMR Deconvolution: Quantitative Profiling of Isomeric Mixtures

1Department of Chemistry, University of South Alabama, Mobile, AL 36688, USA


World Journal of Chemical Education. 2022, Vol. 10 No. 2, 51-61
DOI: 10.12691/wjce-10-2-1
Copyright © 2022 Science and Education Publishing

Cite this paper:
Lauren S. Lopansri, Jacob N. Letson, Richard A. O’Brien, David R. Battiste, David C. Forbes. NMR Deconvolution: Quantitative Profiling of Isomeric Mixtures. World Journal of Chemical Education. 2022; 10(2):51-61. doi: 10.12691/wjce-10-2-1.

Correspondence to: David  C. Forbes, Department of Chemistry, University of South Alabama, Mobile, AL 36688, USA. Email: dforbes@southalabama.edu

Abstract

A method involving NMR band deconvolution has been applied to the instructional/research activities at the undergraduate level. Three case studies are presented to illustrate how unresolved peaks of 1H and 13C NMR spectra can used to obtain quantitative data on isomeric composition. The data generation is rapid and the method can be applied to any organic chemistry laboratory curriculum/research program involving the analysis of NMR spectra. The incorporation of NMR band deconvolutions offers an ideal platform to transition from qualitative to quantitative discernment of NMR data.

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