The calculated IPs showed a strong dependence on the solvent (Table ), with an average range of 265 meV across the four solvents, and a greatest absolute difference of 541 meV for [Ru(bpy)3] 2+ in THF (-6.58 eV) versus in DMF (-7.12 eV). The calculated IPs for all the PCs were less negative in higher polarity solvents (equivalent to a cathodic shift of the Eox), except for [Ru(bpy)3] 2+ , which has a more negative IP in the more polar solvents. This may be due to the more shielded electron density on the metal in this complex than the other compounds.