Electron Affinities and Charge Transfer Complex Energies

TABLE 4.4 Electron Affinities, Ionization Potentials, and Electronegativity of Aromatic Hydrocarbons (in eV) 

It was possible to obtain better resolution for these compounds because there are three independent experimental methods for estimating the electron affinities that could be iterated to consistency. These were the ECD measurements, half-wave reduction potential measurements, and electronegativity values. In addition, these electron affinities had been calculated with the MINDO/3 procedure. We also calculated the values using the CURES-EC procedure and obtained estimates of the charge densities. These procedures were extended to a larger set of 80 compounds, some without gas phase Ea that will be discussed in Chapter 10. 

7 ELECTRON AFFINITIES AND CHARGE TRANSFER COMPLEX ENERGIES 

The theory of charge transfer complexes relates the maximum in the absorption spectrum, the charge transfer energies Ect, and energies for complex formation AGct to the vertical ionization potential of the donor and the vertical electron affinities of the acceptor. The relationship uses constants related to the geometry of the complexes. Mulliken described the theory of charge transfer as follows  

The basic idea is the qualitatively familiar one that any two bits of matter, whether they are atoms, or positive or negative ions, or molecules or even solids have a 

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