2019
DOI: 10.1039/c9an01364d
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Solvent-independent determination of heteroatom protonation states from NMR spectra by differential deuterium isotope shifts

Abstract: We present a simple and broadly applicable method to determine the protonation state of heteroatoms in organic compounds.

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Cited by 3 publications
(1 citation statement)
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References 32 publications
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“…14 The middle of the doublets shifts towards a high-field direction relative to singlet, which can be due to the replacement of the light hydrogen with heavier deuterium that leads to an increase in screening. In the reference, 15 the difference between the chemical shifts in the 13 C NMR spectrum in the presence of deuterium oxide compared to water is called a deuterium isotope shifts (DIS): DIS = δ(H2O) -δ(D2O). The value of DIS in the 13 C NMR depends on the neighboring groups that include protons capable of being replaced by deuterium, and does not depend on the temperature.…”
Section: Investigation Of Reaction Products By Nmr Spectroscopymentioning
confidence: 99%
“…14 The middle of the doublets shifts towards a high-field direction relative to singlet, which can be due to the replacement of the light hydrogen with heavier deuterium that leads to an increase in screening. In the reference, 15 the difference between the chemical shifts in the 13 C NMR spectrum in the presence of deuterium oxide compared to water is called a deuterium isotope shifts (DIS): DIS = δ(H2O) -δ(D2O). The value of DIS in the 13 C NMR depends on the neighboring groups that include protons capable of being replaced by deuterium, and does not depend on the temperature.…”
Section: Investigation Of Reaction Products By Nmr Spectroscopymentioning
confidence: 99%