Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.

Autor: Thoresen EM; Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway. david.balcells@kjemi.uio.no and Center for Materials Science and Nanotechnology (SMN), Faculty of Mathematics and Natural Sciences, University of Oslo, P.O. Box 1126, Blindern, 0318 Oslo, Norway. mamou@kjemi.uio.no., Balcells D; Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway. david.balcells@kjemi.uio.no and Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway., Øien-Ødegaard S; Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway. david.balcells@kjemi.uio.no and Center for Materials Science and Nanotechnology (SMN), Faculty of Mathematics and Natural Sciences, University of Oslo, P.O. Box 1126, Blindern, 0318 Oslo, Norway. mamou@kjemi.uio.no., Hylland KT; Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway. david.balcells@kjemi.uio.no and Center for Materials Science and Nanotechnology (SMN), Faculty of Mathematics and Natural Sciences, University of Oslo, P.O. Box 1126, Blindern, 0318 Oslo, Norway. mamou@kjemi.uio.no., Tilset M; Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway. david.balcells@kjemi.uio.no and Center for Materials Science and Nanotechnology (SMN), Faculty of Mathematics and Natural Sciences, University of Oslo, P.O. Box 1126, Blindern, 0318 Oslo, Norway. mamou@kjemi.uio.no., Amedjkouh M; Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway. david.balcells@kjemi.uio.no and Center for Materials Science and Nanotechnology (SMN), Faculty of Mathematics and Natural Sciences, University of Oslo, P.O. Box 1126, Blindern, 0318 Oslo, Norway. mamou@kjemi.uio.no.
Jazyk: angličtina
Zdroj: Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2018 Feb 20; Vol. 47 (8), pp. 2589-2601.
DOI: 10.1039/c7dt03935b
Abstrakt: The syntheses and characterization of nine new cyclometalated ruthenium complexes are reported. These structures consist of Ru(ii) with bipyridine and phenylpyridine ligands which are substituted with ester or carboxylate groups. Two of the complexes were extensively studied and their properties were compared to those of two previously reported structures. The identities of the compounds were confirmed by NMR, HR-MS and single crystal XRD, and the electronic properties were investigated by UV-Vis spectroscopy. DFT and TD-DFT calculations showed that the intense absorbances in the visible region of the spectrum of these cyclometalated complexes are due to electronic excitations to virtual orbitals located on the carboxylated ligands. These results indicate that the compounds are promising candidates as sensitizers for more efficient photocatalysis with sunlight. Further, the carboxylate groups should facilitate their use as linkers in metal-organic frameworks.
Databáze: MEDLINE
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