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
Electronic and EPR spectra of the species involved in [W10O32]4- photocatalysis. A Relativistic DFT Investigation
RAVELLI, DAVIDE;DONDI, DANIELE;FAGNONI, MAURIZIO;ALBINI, ANGELO;
2013-01-01
Abstract
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 speciesFile in questo prodotto:
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