Signal Integration and Peak Deconvolution

A different approach is the approximation of the NMR spectra by analytical functions. The procedure is well known in sohd-state NMR and applied to especially powder samples to reveal interactions, often modulated by molecular dynamics. Often, a very detailed insight into structure and dynamics is obtained [21]. 

Best results are achieved using Lorentz-Gauss functions for representing NMR peaks (Eq. (13.2)). The function includes four adjustable parameters such as the maximum intensity of the peak, 1, the chemical shift at maximum intensity of the peak, and the Lorentz and Gaussian parameters a and b, respectively. 

The described approaches are often named hard modeling as they rely on physicochemical information that is sample specific. A modification of the hard modehng became available indirect hard modehng (IHM) [23, 24] considers each 

Flow and High-Pressure NMR Spectroscopy for Reaction Monitoring 

Flow NMR spectroscopy allows investigations of reaction processes nearly in real time and under process conditions in a wide temperature and pressure range. Modem multipulse and PFG NMR experiments can be used, which increase the quahty of the data and reduce the experiment time. Typical commercial NMR probe flow cells have an active volume of 60-120[i.l and a total volume of about 120-240 ]tl, which is significantly smaller than that of about 600 ]tl of conventional 5 mm tubes, and a small fraction of the total reactant volume. 

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