Journal of Physical Chemistry A, Vol.115, No.46, 13482-13488, 2011
Spectroscopy and Fragmentation of Undercoordinated Bromoiridates
We report gas-phase electronic photodissociation spectra of the undercoordinated bromoiridate complexes IrBr4- and IrBr5- at photon energies from 1 to 5.6 eV. Both ions have open-shell ground states with low-symmetry structures. The fragmentation is characterized by thresholds for the loss of one Br atom for IrBr4- and one or two Br atoms for IrBr5-. The experimental spectra consist of ligand-to-metal charge transfer transitions and reveal a large density of electronic states that can be recovered by time-dependent density functional theory.