title: Sensitization of NO-Releasing Ruthenium Complexes to Visible Light.
abstract: We report a combined spectroscopical-theoretical investigation on the photosensitization of transition metal nitrosyl complexes. For this purpose, ruthenium nitrosyl complexes based on tetradentate biscarboxamide ligands were synthesized. A crystal structure analysis of a lithium-based ligand intermediate is described. The Ru complexes have been characterized regarding their photophysical and nitric oxide (NO) releasing properties. Quantum chemical calculations have been performed to unravel the influence of the biscarboxamide ligand frame with respect to the molecular electronic properties of the NO-releasing pathway. A quantitative measure for the ligand design within photosensitized Ru complexes is introduced and evaluated spectroscopically and theoretically by using time-dependent density functional theory.
authors.affiliation: Max Planck Institute for Chemical Ecology, Department of Bioorganic Chemistry, Hans-Knöll-Straße 8, 07745 Jena (Germany).
authors.forename: Tobias
authors.initials: T
authors.lastname: Becker
authors.affiliation: Institute for Physical Chemistry, Friedrich Schiller University Jena, Helmholtzweg 4, 07743 Jena (Germany).|Abbe Center of Photonics, Friedrich Schiller University Jena (Germany).
authors.forename: Stephan
authors.initials: S
authors.lastname: Kupfer
authors.affiliation: Department of Chemistry, Center for Evolutionary Chemical Biology, Copenhagen University, Universitetsparken 5, 2100 Copenhagen (Denmark).
authors.forename: Martin
authors.initials: M
authors.lastname: Wolfram
authors.affiliation: Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena, Humboldtstraße 8, 07743 Jena (Germany).
authors.forename: Helmar
authors.initials: H
authors.lastname: Görls
authors.affiliation: Institute for Organic Chemistry and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstraße 10, 07743 Jena (Germany).|Jena Center for Soft Matter, Friedrich Schiller University Jena, Philosophenweg 7, D-07743 Jena (Germany).
authors.forename: Ulrich S
authors.initials: US
authors.lastname: Schubert
authors.affiliation: Department of Chemistry and Biochemistry, University of Texas at Austin, Texas 78712 (USA).
authors.forename: Eric V
authors.initials: EV
authors.lastname: Anslyn
authors.affiliation: Institute for Physical Chemistry, Friedrich Schiller University Jena, Helmholtzweg 4, 07743 Jena (Germany).|Abbe Center of Photonics, Friedrich Schiller University Jena (Germany).
authors.forename: Benjamin
authors.initials: B
authors.lastname: Dietzek
authors.affiliation: Institute for Physical Chemistry, Friedrich Schiller University Jena, Helmholtzweg 4, 07743 Jena (Germany).|Abbe Center of Photonics, Friedrich Schiller University Jena (Germany).
authors.forename: Stefanie
authors.initials: S
authors.lastname: Gräfe
authors.affiliation: Abbe Center of Photonics, Friedrich Schiller University Jena (Germany). alexander.schiller@uni-jena.de.|Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena, Humboldtstraße 8, 07743 Jena (Germany). alexander.schiller@uni-jena.de.|Jena Center for Soft Matter, Friedrich Schiller University Jena, Philosophenweg 7, D-07743 Jena (Germany). alexander.schiller@uni-jena.de.
authors.forename: Alexander
authors.initials: A
authors.lastname: Schiller
keywords: NO release; TDDFT calculation; ligand design; photosensitization; ruthenium complexes