Guidelines for NMR measurements for determination of high and low pKa values (IUPAC Technical Report)

@article{Popov2006GuidelinesFN,
  title={Guidelines for NMR measurements for determination of high and low pKa values (IUPAC Technical Report)},
  author={Konstantin Popov and Hannu R{\"o}nkk{\"o}m{\"a}ki and Lauri H. J. Lajunen},
  journal={Pure and Applied Chemistry},
  year={2006},
  volume={78},
  pages={663 - 675}
}
Abstract Factors affecting the NMR titration procedures for the determination of pKa values in strongly basic and strongly acidic aqueous solutions (2 > pH > 0 and 14 > pH > 12) are analyzed. Guidelines for experimental procedure and publication protocols are formulated. These include: calculation of the equilibrium H+ concentration in a sample; avoidance of measurement with glass electrode in highly acidic (basic) solutions; exclusion of D2O as a solvent; use of an individual sample isolated… 

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