Photophysical, electrochemical, and DFT studies of the novel azacrown-bridged dinuclear ruthenium dye sensitizers for solar cells.

A dinuclear ruthenium bipyridyl complex with 1,10-diaza-18-crown-6 bridging ligand was synthesized and characterized. Its photophysical and electrochemical properties were also studied. DFT computations were performed to complement the experimental investigations. Analysis of the results indicates that the path in which charges move from one metal center to the other is significant for effective electronic coupling. However, the electronic coupling between the two ruthenium centers is embedded by the azacrown barrier bridging ligand, compared to the smooth electronic transfer reported for a related dye involving an azo bridging ligand. A dinuclear ruthenium bipyridyl complex with 1,10-diaza-18-crown-6 bridging ligand was synthesized and characterized. Its photophysical and electrochemical properties were also studied. DFT computations were performed to complement the experimental investigations. Analysis of the results indicates that the path in which charges move from one metal center to the other is significant for effective electronic coupling. However, electron transfer between the two ruthenium centers is hindered by the azacrown bridging ligand, compared to the smooth electronic transfer reported for a related dye involving an azo bridging ligand. [ABSTRACT FROM AUTHOR]