Universally quantitative band-selective pure shift NMR spectroscopy

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Abstract

NMR spectroscopy is often described as a quantitative analytical technique. Strictly, only the simple pulse-acquire experiment is universally quantitative, but the poor signal resolution of the 1H NMR pulse-acquire experiment frequently complicates quantitative analysis. Pure shift NMR techniques provide higher resolution, by reducing signal overlap, but they are susceptible to a variety of sources of site-dependent signal loss. Here, we introduce a new method that corrects for signal loss from such sources in band-selective pure shift NMR experiments, by performing different numbers of iterations of the same pulse sequence elements before acquisition to allow extrapolation back to the loss-free signal. We apply this method to both interferogram and semi-real-time acquisition modes, obtaining integrals within 1 % of those acquired from a pulse-acquire experiment for a three-component mixture.
Original languageEnglish
JournalAnalytical Chemistry
Publication statusAccepted/In press - 17 May 2024

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