Electronic and EPR spectra of the species involved in [W10O32]4- photocatalysis. A Relativistic DFT Investigation

The decatungstate anion [W10O32]4 is widely used as a photocatalyst in different transformations, during which it undergoes one-electron reduction to [W10O32]5, possibly protonated; the bi-reduced species [W10O32]6 is obtained by ensuing disproportionation. Relativistic DFT calculations were used to
predict the UV-VIS spectra and EPR parameters of all such species