Spectroscopy and fragmentation of under-coordinated bromoiridates

J.C. Marcum, A.I. Krylov, and J.M. Weber
J. Phys. Chem. A 115, 13482–13488 (2011)

We report gas phase electronic photodissociation spectra of the under-coordinated bromoiridate complexes IrBr4- and IrBr5- at photon energies from 1-5.6 eV. The electronic structure of the ground states of the complexes under study are discussed in the framework of molecular orbital theory. The fragmentation thresholds are described by density functional theory. The experimental spectra are compared to calculated spectra based on time-dependent density functional theory and reveal a large density of electronic states.

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