Berechnung von Ionisierungsenergien aus Redoxpotentialen

Abstract

Ionization energies and electron affinities of organic and inorganic substances are obtainable from reversible anodic and cathodic half-wave potentials, solvation energies and the electron work function potential of the electrode metal. Solvation energies were calculated using a modified Born equation in which the molecular radius was corrected for the ionization energy. It is possible to compute the first ionization potential of organic compounds with a deviation from experimental data of less than 3 per cent. The calculated electron-affinities do not agree with values given in the literature but are equal to the difference in energy between the first excited state and ionization potential. Electron work function potential of platinum measured by an indirect method was found to be 4,43 ev.