Nonlinear Least Square Data Treatment of NMR Titration Method

3 Nonlinear Least Square Data Treatment of NMR Titration Method 

This method is widely applicable and generally acceptable but includes an approximation. In this section, the equilibrium of 1 1 host-guest complexation detected by NMR spectroscopy is treated. The observed property is the chemical shift ( 5). The chemical shift data of the titration experiment were collected. 

This Eq. (2.64) is modified with Eq. (2.56) (rapid exchange NMR and 1 1 stoichiometry) and the following three definitions. 

A typical titration experiment is graphically expressed in Fig. 2.15. The host solution in NMR tube is titrated by the addition of guest stock solution. Equation (2.68) is modified with the following experimental constants and parameters according to the typical experimental method for NMR titration. 

Then basic Eq. (2.68) is expressed vith experimental constants and variables as follo vs. 

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