Quantum-Chemical Modeling of the Ion Associates in the [Co(NH3)6]3+-Cl- System

The electronic absorption spectra of the ion associates [Co(NH(3))(6)](3+), mCl(-) are calculated and analyzed. The positions of the outer-sphere charge-transfer bands are shown to be mainly determined by the Coulomb interaction between the ions and the solvate environment. The intensities of these electronic transitions depend on the mutual orientation of ions.