A formula for correlating pKa values determined in D2O and H2O.
A linear correlation between pH-meter readings in equivalent D2O and H2O solutions, determined experimentally, leads to a novel equation, which allows for a direct recalculation of pKa values measured in D2O into a H2O equivalent: pKH=0.929pKH*+0.42. The comparison of this equation with the previously used approach is discussed.
Krezel
Artur
A
Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw, Poland.
Bal
Wojciech
W
D003903:Deuterium / Q000737:chemistry*; D041961:Deuterium Exchange Measurement; D005978:Glutathione / Q000737:chemistry; D006639:Histidine / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D009682:Magnetic Resonance Spectroscopy; D009842:Oligopeptides / Q000737:chemistry; D010720:Phosphines / Q000737:chemistry; D011199:Potentiometry / Q000379:methods / Q000592:standards; D015203:Reproducibility of Results; D021241:Spectrometry, Mass, Electrospray Ionization; D014867:Water / Q000737:chemistry*
D003903:Deuterium; D005978:Glutathione; D006639:Histidine; D009842:Oligopeptides; D010720:Phosphines; D014867:Water; C080938:tris(2-carboxyethyl)phosphine