Synthesis, spectral and electrochemical properties of pyrimidine-containing dyes as photosensitizers for dye-sensitized solar cells

Abstract Six novel donor–π–acceptor organic dyes bearing a pyrimidine as the anchoring group have been obtained in good yields by combination of the microwave-assisted Suzuki cross-coupling and nucleophilic aromatic substitution of hydrogen reactions. Their absorption, photoluminescence and electrochemical properties were fully investigated in detail. The infrared spectra of dyes adsorbed on TiO 2 indicate the formation of coordinate bonds between the pyrimidine ring of dyes and the Lewis acid sites (exposed Ti n + cations) of the TiO 2 surface. This work demonstrates that the pyrimidine rings of dye sensitizers that form a coordinate bond with the Lewis acid site of a TiO 2 surface are promising candidates as the electron-withdrawing anchoring group. The data from quantum calculations show that all of the dyes are potentially good photosensitizers for dye-sensitized solar cells.