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dc.contributor.authorCetin, M. Mustafa
dc.contributor.authorHodson, Roman T.
dc.contributor.authorHart, C. Robin
dc.contributor.authorCordes, David Bradford
dc.contributor.authorFindlater, Michael
dc.contributor.authorCasadonte, Jr., Dominick J.
dc.contributor.authorCozzolino, Anthony F.
dc.contributor.authorMayer, Michael F.
dc.date.accessioned2018-04-12T23:33:35Z
dc.date.available2018-04-12T23:33:35Z
dc.date.issued2017-05-28
dc.identifier.citationCetin , M M , Hodson , R T , Hart , C R , Cordes , D B , Findlater , M , Casadonte, Jr. , D J , Cozzolino , A F & Mayer , M F 2017 , ' Characterization and photocatalytic behavior of 2,9-di(aryl)-1,10-phenanthroline copper(I) complexes ' Dalton Transactions , vol. 46 , no. 20 , pp. 6553-6569 . https://doi.org/10.1039/C7DT00400Aen
dc.identifier.issn1477-9226
dc.identifier.otherPURE: 249875876
dc.identifier.otherPURE UUID: da121356-e229-42e8-a823-96286a506cdd
dc.identifier.otherScopus: 85021745070
dc.identifier.otherORCID: /0000-0002-5366-9168/work/32284237
dc.identifier.urihttp://hdl.handle.net/10023/13129
dc.descriptionFinancial support from the National Science Foundation (MFM research grant CHE-0847736 and NMR instrument grant CHE-1048553) and the Robert A. Welch Foundation (AFC grant D-1838 and MF grant D-1807) are gratefully acknowledged.en
dc.description.abstractThe 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., ([Cu·( 1 )2]PF6, [Cu·( 2 )2]PF6, [Cu·( 3 )2]PF6, and [Cu·( 4 )2]PF6) have been isolated and characterized. The structures of ligands 1 and 2 and complexes [Cu·( 1 )2]PF6 and [Cu·( 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, with a strong wavelength dependence. In order to better understand the observed catalytic activity, photophysical emission and absorption studies, and DFT calculations were also performed. It was determined that when the excitation wavelength was appropriate for exciting into the LUMO+1 or LUMO+2, catalysis would occur. On the contrary, excitations into the LUMO resulted in no observable catalysis. In light of these results, a mechanism for the ATRA photoredox catalytic cycle has been proposed.en
dc.format.extent17en
dc.language.isoeng
dc.relation.ispartofDalton Transactionsen
dc.rights© 2017, the Author(s). This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at pubs.rsc.org / https://doi.org/10.1039/C7DT00400Aen
dc.subjectQD Chemistryen
dc.subjectTP Chemical technologyen
dc.subjectDASen
dc.subject.lccQDen
dc.subject.lccTPen
dc.titleCharacterization and photocatalytic behavior of 2,9-di(aryl)-1,10-phenanthroline copper(I) complexesen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1039/C7DT00400A
dc.description.statusPeer revieweden
dc.date.embargoedUntil12-04-20


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