Anharmonic charge transfer vibronic states and luminescence dynamics of uranyl compounds

Configurations of harmonic and anharmonic charge transfer vibronic excitons (CTVE-I and CTVE-II) in uranyl complexes. The co-existence of CTVE-I and CTVE-II provides a clear explanation to experimental results previously reported but not understood for Cs2UO2Cl4 and Cs2ZrCl6:UO2Cl42-. Hot bands with energy lower than zero-phonon lines are expected to be observed in the CTVE-I luminescence spectrum of uranyl ion in crystals. Doublet may appear in absorption spectrum when taking into account of tunneling between double wells in the excited state potential.