π-Electron SCF MO calculations for disubstituted benzene derivatives containing two donor groups

The π-electronic structures and spectra of all possible disubstituted benzene derivatives containing fluoro, chloro, hydroxy, and amino groups have been calculated by the Pariser—Parr—Pople method. For all compounds the same starting parameters determined from the best fits to the spectra of the monosubstituted derivatives were used. The calculations give good results for singlet transition energies as well as for the ground state charge densities and bond orders.