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Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes

Abstract

The synthesis, characterization, photophysical properties, theoretical calculations, and catalytic studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes are described. Specifically, this study made use of di(aryl)-1,10-phenanthroline ligands including 2,9-di(4-methoxyphenyl)-1,10-phenanthroline (1), 2,9-di(4-hydroxyphenyl)-1,10-phenanthroline (2), 2,9-di(4-methoxy-3-methylphenyl)-1,10-phenanthroline (3), and 2,9-di(4-hydroxy-3-methylphenyl)-1,10-phenanthroline (4). The 2:1 ligand-to-metal complexes, as PF6- salts, i.e., ([Cuˑ(1)2¬]PF6, [Cuˑ(2)2¬]PF6, [Cuˑ(3)2-]PF6, and [Cuˑ(4)2¬]PF6) have been isolated and characterized. The structures of ligands 1 and 2 and complexes [Cuˑ(1)2¬]PF6 and [Cuˑ(3)2¬]PF6 have been determined by single-crystal X-ray analysis. The photoredox catalytic activity of these copper (I) complexes was investigated in an atom-transfer radical addition (ATRA) reaction and the results showed fairly efficient activity. In order to better understand the observed catalytic activity, photophysical emission and absorption studies, and DFT calculations were also performed. In light of these results, a mechanism for the ATRA photoredox catalytic cycle has been proposed.

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Publication details

The article was received on 01 Feb 2017, accepted on 11 Apr 2017 and first published on 12 Apr 2017


Article type: Paper
DOI: 10.1039/C7DT00400A
Citation: Dalton Trans., 2017, Accepted Manuscript
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    Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes

    M. M. Cetin, R. T. Hodson, C. R. Hart, D. B. Cordes, M. Findlater, D. J. Casadonte, A. F. Cozzolino and M. F. Mayer, Dalton Trans., 2017, Accepted Manuscript , DOI: 10.1039/C7DT00400A

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