Cyclic Voltammetric and DFT Analysis of the Reduction of Manganese(III) Complexes with 2‐Hydroxybenzophenones

A comprehensive understanding of the redox behaviour of manganese complexes is significant for its use in different industrial applications, including as redox mediator in dye sensitized solar cells. This study presents the experimental reduction potential of derivatives of manganese(III) complexes coordinated to 2‐hydroxybenzophenones, showing that the first observed experimental reduction potential peak is located on the manganese atom, followed by a further ligand‐based reduction. A density functional theory study shows that Jahn‐Teller distortion has a larger impact on the theoretically determined reduction potential and molecular electrostatic potential at the manganese atom, than the impact of the isomeric forms (fac and mer) on the theoretically predicted reduction potential.