Spectroscopy and fragmentation of undercoordinated bromoiridates

摘要

We report gas-phase electronic photodissociation spectra of the undercoordinated bromoiridate complexes IrBr_4~- and IrBr_5~- 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 IrBr _4~- and one or two Br atoms for IrBr_5~-. 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.