One electron less or one proton more: how do they differ?

ABSTRACT: From the NIST website and the literature, we have collected the Ionisation Energies (IE) of 3,052 and the Proton Affinities (PA) of 1,670 compounds. For 614 of these, both the IE and PA are known; this enables a study of the relationships between these quantities for a wide variety of molecules. From the IE and PA values, the hydrogen atom affinities (HA) of molecular ions M•+ may also be assessed. The PA may be equated to the heterolytic bond energy of [MH]+ and HA to the homolytic bond energy. Plots of PA versus IE for these substances show (in agreement with earlier studies) that, for many families of molecules, the slope of the ensuing line is less negative than -1, i.e. changes in the PA are significantly less than the concomitant opposite changes in IE. At one extreme (high PA, low I

SUBMITTER: van Huizen NA 

PROVIDER: S-EPMC7317499 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature