Identification of Two Isomers from an Organic Mixture by Double‐Stimulated‐Echo NMR and Construction of the DOSY Spectra by the Regularized Resolvent Transform Method

Abstract

DOSY-NMR experiments were used to characterize two structural isomers that have different shapes, but identical mass fragmentation patterns, from an organic mixture. It is shown that the spherical molecule diffuses faster than the ellipsoidal one. This distinct behaviour is tentatively explained in terms of microfriction effects from the solvent. Finally, to increase the resolution and efficiency of the 2D DOSY map construction, the data were treated with the regularized resolvent transform method. This method provides good separation for mildly overlapped peaks and requires fewer points than other classical DOSY processing methods.

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“…52,53 Only 2048 points in the direct dimension and 12 points in the diffusion dimension were necessary for achieving a high-resolution DOSY spectrum.…”

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Simplified Analysis of Mixtures of Small Molecules by Chromatographic NMR Spectroscopy

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