Ruthenium(II) Photosensitizers of Tridentate Click-Derived Cyclometalating Ligands: A Joint Experimental and Computational Study

Schulze, Benjamin; Escudero, Daniel; Friebe, Christian; Siebert, Ronald; Görls, Helmar; Sinn, Stephan; Thomas, Martin; Mai, Sebastian; J\", ; urgen Popp, ; Dietzek, Benjamin; Gonz, Leticia; Schubert, Ulrich S.

Abstract:

A systematic series of het- ACHTUNGTRENUNGeroleptic bis(tridentate)ruthenium(II) complexes of click-derived 1,3- bis(1,2,3-triazol-4-yl)benzene N^C^Ncoordinating ligands was synthesized, analyzed by single crystal X-ray diffraction, investigated photophysically and electrochemically, and studied by computational methods. The presented comprehensive characterization allows a more detailed understanding of the radiationless deactivation mechanisms. Furthermore, we provide a fully optimized synthesis and systematic variations towards redox-matched, broadly and intensely absorbing, cyclometalated ruthenium(II) complexes. Most of them show a weak room-temperature emission and a prolonged excited-state lifetime. They display a broad absorption up to 700 nm and high molar extinction coefficients up to 20 000m1cm1 of the metal-to-ligand charge transfer bands, resulting in a black color. Thus, the complexes reveal great potential for dye-sensitized solar-cell applications.

Year:

2012

Type of Publication:

Article

Keywords:

click chemistry; computational methods; cyclometalation; photosensitizers; ruthenium

Journal:

Chemistry - A European Journal

Volume:

18

Pages:

4010 - 4025