Revista Colombiana de Química
Print version ISSN 0120-2804
PARADA, Giovanny A et al. SYNTHESIS AND THEORETICAL DFT STUDY OF RU(II) COMPLEXES WITH FERROCENYLIC LIGANDS FOR ELECTROCHEMICAL APPLICATIONS . Rev.Colomb.Quim. [online]. 2007, vol.36, n.2, pp. 199-211. ISSN 0120-2804.
Novel ruthenium(II) complexes with ferrocenylic and/or phosphinic ligands of the type [RuCl2(PP)(NN)], with PP = 1,1'- bis(diphenylphosphino)ferrocene (dppf) or 1,2-dipheylphospinoethane (dppe) and NN = 3,3'-dicarboxyl- 2,2'-bipyridine (3,3'- dcbpy) or 2,2'-bipyridine (bpy) were synthesized and characterized. DFT studies of these compounds allowed to explain some experimental aspects, leading to a theoretical design of modified Ru(II) ferrocenylic complexes in order to be used as a dye for Photosensitized Solar Cells. The ligands and the complexes were characterized by 1H y 31P - NMR, UV-Vis, IR and Cyclic and differential pulse voltammetries.
Keywords : Ruthenium(II); ferrocene; dye; solar cell; DFT calculations.