title: Ruthenium(II) photosensitizers of tridentate click-derived cyclometalating ligands: a joint experimental and computational study.
abstract: A systematic series of heteroleptic bis(tridentate)ruthenium(II) complexes of click-derived 1,3-bis(1,2,3-triazol-4-yl)benzene N^C^N-coordinating 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 20 000 M(-1)cm(-1) 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.
authors.affiliation: Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich-Schiller-University Jena, Humboldtstr. 10, 07743 Jena, Germany.
authors.forename: Benjamin
authors.initials: B
authors.lastname: Schulze
authors.forename: Daniel
authors.initials: D
authors.lastname: Escudero
authors.forename: Christian
authors.initials: C
authors.lastname: Friebe
authors.forename: Ronald
authors.initials: R
authors.lastname: Siebert
authors.forename: Helmar
authors.initials: H
authors.lastname: Görls
authors.forename: Stephan
authors.initials: S
authors.lastname: Sinn
authors.forename: Martin
authors.initials: M
authors.lastname: Thomas
authors.forename: Sebastian
authors.initials: S
authors.lastname: Mai
authors.forename: Jürgen
authors.initials: J
authors.lastname: Popp
authors.forename: Benjamin
authors.initials: B
authors.lastname: Dietzek
authors.forename: Leticia
authors.initials: L
authors.lastname: González
authors.forename: Ulrich S
authors.initials: US
authors.lastname: Schubert