Abstract
Gas phase basicities (GB) and proton affinities (PA) of molecules are still the subject of active experimental and theoretical investigations. Recently, a formidable compilation of evaluated GB and PA values of ca. 1700 neutrals has appeared (the Hunter and Lias compilation, 1 which will be abreviated HL hereafter), expanding and correcting the previous review established by the same laboratory. 2 Reevaluation of the GB/PA values derived from gas phase equilibrium experiments or from the ‘kinetic method’ has been made in a more or less straightforward manner. 1 For the values obtained by the ‘thermokinetic method’ the corrections have been made by using a bracketing estimate from the original data. The goal of the present note is to examine, in a more elaborate way, the impact of the new standard values on the GB and PA values obtained in the first applications of the thermokinetic method. It may be briefly recalled that the ‘thermokinetic’ method of determination of gas basicity and proton affinity values uses a correlation between the reaction efficiency (RE) and the standard free energy change, DG o , or the standard enthalpy variation, DH o , of a proton transfer process. 3 For a
Published Version
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