electronic spectra and electronic energy levels of tetragonal chromium(III) complexes

We have studied the electronic spectra of tetragonal chromium (III) complexes namely trans-[Cr(NH3)4(CN)2]ClO4, trans-[Cr(en)2(CN)2]ClO4, and trans-[Cr(cyclam)(CN) 2]ClO4. These spectra have been analyzed by Gaussian analysis to locate the band maxima of the tetragonal components. The band maxima are then fitted with the tetragonal energy matrices of d3 configuration with full configuration interaction, neglecting spin-orbit interaction. The Dq, Dt, and Ds ligand field and the B and C electron correlation parameters have been extracted from the fitting procedure. The parameters have been analyzed to understand the bonding of these complexes. We have also uncovered the low intensity absorption doublet bands and a high intensity charge transfer band of trans-[Cr(en)2(CN)2]ClO4 which occur around 15,000cm-1 and 49,000cm-1, respectively.