Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 120, Issue 20, Pages 3663-3669Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.6b02253
Keywords
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Funding
- Estonian Ministry of Education and Research [IUT14-20 (TLOKT14014I), IUT23-7]
- European Regional Development Fund Projects [TK134, TK141]
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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 plc 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 pK(a) values were revised by more than 10 orders of magnitude.
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