NMR Deconvolution: Quantitative Profiling of Isomeric Mixtures

Lauren S. Lopansri¹, Jacob N. Letson¹, Richard A. O’Brien¹, David R. Battiste¹ and David C. Forbes^1,

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

Cite this paper:
Lauren S. Lopansri, Jacob N. Letson, Richard A. O’Brien, David R. Battiste and 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

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.

Keywords:
second-term organic chemistry isomeric analysis NMR band deconvolution

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