We present a combined ab initio theoretical and experimental study of the magnetic circular dichroism (MCD) spectrum of the octahedral UCl6− complex ion in the UV-Vis spectral region.
The electronic structures of mononuclear and dinuclear iron(iv) complexes are studied using magnetic circular dichroism and wavefunction-based ab initio methods, and then correlated with their similar reactivities toward H- and O-atom transfer.
Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region