Acidity of Strong Acids in Water and Dimethyl Sulfoxide.
Careful analysis and comparison of the available acidity data of HCl, HBr, HI, HClO4, and CF3SO3H in water, dimethyl sulfoxide (DMSO), and gas-phase has been carried out. The data include experimental and computational pKa and gas-phase acidity data from the literature, as well as high-level computations using different approaches (including the W1 theory) carried out in this work. As a result of the analysis, for every acid in every medium, a recommended acidity value is presented. In some cases, the currently accepted pKa values were revised by more than 10 orders of magnitude.
National Institute of Chemical Physics and Biophysics , 23 Akadeemia tee, Tallinn 12618, Estonia.
Aleksander
A
Trummal
Institute of Chemistry, University of Tartu , 14a Ravila Street, Tartu 50411, Estonia.
Lauri
L
Lipping
Institute of Chemistry, University of Tartu , 14a Ravila Street, Tartu 50411, Estonia.
Ivari
I
Kaljurand
Institute of Chemistry, University of Tartu , 14a Ravila Street, Tartu 50411, Estonia.
Ilmar A
IA
Koppel
Institute of Chemistry, University of Tartu , 14a Ravila Street, Tartu 50411, Estonia.
Ivo
I
Leito