Online NMR spectroscopy empowered by Indirect Hard Modeling

Dr. Clemens Minnich Kontakt, S-PACT

Nuclear Magnetic Resonance (NMR) spectroscopy has finally found its way into the Process Analytical Technology (PAT) toolbox. Powerful benchtop equipment capable of sampling-free online use, coupled with intelligent ways of chemometric spectral analysis, boosts the applicability of the technology to the real world of PAT applications.

Nuclear magnetic resonance (NMR) spectroscopy is an emerging process analytical technique. High-field NMR spectroscopy is widely applied in lab environments, whereas the medium-resolution (MR) technique is beneficial in field use due to various issues. These are Lower stray fields, Compact equipment (benchtop size), Permanent magnets without maintenance and Lower acquisition and maintenance costs.

For these reasons, the potential of MR-NMR for automated online analyses has been explored for a well-characterised esterification reaction.
In order to benefit from both versatility of proton (1H) and specificity of fluorine (19F) NMR spectroscopy, partially fluorinated substrates have been utilised.

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