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, 120 (20), 3663-9

Acidity of Strong Acids in Water and Dimethyl Sulfoxide

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Acidity of Strong Acids in Water and Dimethyl Sulfoxide

Aleksander Trummal et al. J Phys Chem A.

Abstract

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.

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