Process NMR

60 MHz 1H NMR Reaction Monitoring

Visualization and Quantitation with MestReNova Software

MestreNova NMR post-processing software from MestreLab Research SRL has been a big improvement on our ability to rapidly process real time reaction data obtained on our AspectItalia 60 MHz NMR system.

Reaction System: Acetylation of t-butyl alcohol with acetic anhydride in the presence of acid.

Figure 1: Stacked Plot of the Aliphatic Region of the Spectrum
NMR Reaction Monitoring - Acetic Anhydride and tert-Butanol

Figure 2: Stacked Plot - Full Spectrum - Reaction Monitoring - 146 Spectra - 10 Seconds Apart

MNova - angled stack plot - NMR Reaction Monitoring
Figure 3: Angled Stack Plot - Acetic Anhydride and tert-Butanol - Real Time Reaction Monitoring by 1H NMR at 60 MHz
Whitewashed Stacked 1H NMR Spectra - Reaction Monitoring
Figure 4: Stacked and Whitewashed Plot of 1H NMR data at 60 MHz - Real Time Reaction Monitoring of Acetic Anhydride with tert-Butanol

The MNova data analysis tools allow the user to integrate NMR reaction peaks and automatically plots and fits them to exponential time constants allowing detailed kinetics to be extracted rapidly and easily from the data. What used to take hours of lining up ascii spectra in excel or other software now literally takes seconds. The integration is segmented in such a manner that integrals can be made to track with shifting resonances, for example labile protons effected by pH.

Contact John Edwards if you have interest in permanent magnet NMR technology for reaction monitoring.
 PNA Blog