DFT insights into the photocatalytic reduction of CO 2 to CO by Re( i ) complexes: the crucial role of the triethanolamine “magic” sacrificial electron donor

Mechanistic details of the photocatalytic reduction of CO 2 to CO catalyzed by the [Re(en)(CO) 3 Cl] complex in the presence of triethanolamine, R 3 N (R = CH 2 CH 2 OH), in DMF solution were obtained with the aid of DFT computational protocols.