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
BAGNO, ALESSANDRO
2013
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 species.File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.