Intensities ofd-dtransitions in the tetrachloroferrate(III) anion

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Abstract
The relative intensities of the d-d bands in the visible spectrum of the tetrachloroferrate(III) ion have been calculated in a semi-empirical MO model in which it has been assumed that all intensity of the spin-forbidden bands has been borrowed from the two lowest-energy charge-transfer bands via direct spin-orbit coupling of the charge-transfer upper states and the metal 4Γ states. The prominence of the 4 E(4 D) band is reproduced especially well in the calculations. A comparison of the intensity of this band and the first charge-transfer band gives a rather realistic value for the π-antibonding MO eigen vector. The observed intensities of the ions FeCl4 - and FeBr4 - could also be related in a satisfactory way.

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