Ruthenium(II) Photosensitizers of Tridentate Click‐Derived Cyclometalating Ligands: A Joint Experimental and Computational Study |
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| Authors: | Benjamin Schulze Dr. Daniel Escudero Christian Friebe Dr. Ronald Siebert Dr. Helmar Görls Stephan Sinn Martin Thomas Sebastian Mai Prof. Dr. Jürgen Popp Prof. Dr. Benjamin Dietzek Prof. Dr. Leticia González Prof. Dr. Ulrich S. Schubert |
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| Affiliation: | 1. Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich‐Schiller‐University Jena, Humboldtstr. 10, 07743 Jena (Germany), Fax: (+49)?3641948202;2. Jena Center for Soft Matter (JCSM), Friedrich‐Schiller‐University Jena, Humboldtstr. 10, 07743 Jena (Germany);3. Laboratory of Theoretical Chemistry, Friedrich‐Schiller‐University Jena, Helmholtzweg 4, 07743 Jena (Germany);4. Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich‐Schiller‐University Jena, Helmholtzweg 4, 07743 Jena (Germany) and Institute of Photonic Technology Jena, Albert‐Einstein‐Stra?e 9, 07745 Jena (Germany), Fax: (+49)?3641206399;5. Laboratory of Inorganic and Analytic Chemistry, Friedrich‐Schiller‐University Jena, Lessingstr. 8, 07743 Jena (Germany);6. Current address: Prof.?Dr. L. González, Institute of Theoretical Chemistry, University of Vienna, W?hringer Str. 17, 1090 Vienna (Austria), Fax: (+43)?1427752793 |
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| 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. |
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| Keywords: | click chemistry computational methods cyclometalation photosensitizers ruthenium |
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