13. Automated data evaluation and modelling of simultaneous 19F–1H medium-resolution NMR spectra for online reaction monitoring
Nicolai Zientek, Clément Laurain, Klas Meyer, Andrea Paul, Dirk Engel, Gisela Guthausen, Matthias Kraumee, Michael Maiwald, Magnetic Resonance in Chemistry, (2016), 54 (6), 513–520, DOI: 10.1002/mrc.4216
Medium-resolution nuclear magnetic resonance spectroscopy (MR-NMR) currently develops to an important analytical tool for both quality control and process monitoring. In contrast to high-resolution online NMR (HR-NMR), MR-NMR can be operated under rough environmental conditions. A continuous re-circulating stream of reaction mixture from the reaction vessel to the NMR spectrometer enables a non-invasive, volume integrating online analysis of reactants and products. Here, we investigate the esterification of 2,2,2-trifluoroethanol with acetic acid to 2,2,2-trifluoroethyl acetate both by 1H HR-NMR (500?MHz) and 1H and 19F MR-NMR (43?MHz) as a model system.