Issue 8, 2018

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

Abstract

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.

Graphical abstract: Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective

Supplementary files

Article information

Article type
Paper
Submitted
19 Oct 2017
Accepted
11 Jan 2018
First published
31 Jan 2018

Dalton Trans., 2018,47, 2589-2601

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

E. M. Thoresen, D. Balcells, S. Øien-Ødegaard, K. T. Hylland, M. Tilset and M. Amedjkouh, Dalton Trans., 2018, 47, 2589 DOI: 10.1039/C7DT03935B

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