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1. Solvent-independent determination of heteroatom protonation states from NMR spectra by differential deuterium isotope shifts.

Author

Tassoti, Sebastian, Walenta, Martin, Pöcheim, Alexander, Buchberger, Kathrin, Kunert, Olaf, and Zangger, Klaus

Subjects
*ISOTOPE shift, *DEUTERIUM, *PROTON transfer reactions, *DEUTERATION
Abstract

The NMR-spectroscopy based structure elucidation of organic molecules containing heteroatoms is often obstructed by the difficulties in determining the heteroatom protonation states. Here we describe a simple but broadly applicable approach for the determination of the protonation states of heteroatoms. Differential deuterium isotope shifts observed upon the addition of small amounts of H2O or D2O to any solvent can be used to determine the protonation states of heteroatoms. [ABSTRACT FROM AUTHOR]

Published
2019
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