Abstract
A theory has been developed to interpret the intense absorption bands (believed to be charge-transfer bands) in the ultra-violet of halogenopentamminecobalt(III) spectra. The theory is based on the LCAO MO theory and includes consideration of spin-orbit interaction, which is proved to be important especially with the bromo- and iodo-complexes. Quantitative prediction of intensity ratios for each pair of the bands and semiquantitative calculation of the intensity of each band are made and satisfactorily compared with observation. In the course of this calculation, suggestions are made for mixing of orbitals and for delocalization of the charge transfer. The bond energy of the complex is discussed in connexion with the wave numbers of the bands. A general opinion is expressed that the spectra of many metal complexes can to a first approximation be interpreted with the LCAO MO model.
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