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dc.contributor.authorHierlinger, Claus
dc.contributor.authorPal, Amlan K.
dc.contributor.authorStella, Filippo
dc.contributor.authorLebl, Tomas
dc.contributor.authorCordes, David B.
dc.contributor.authorSlawin, Alexandra M. Z.
dc.contributor.authorJacquemin, Denis
dc.contributor.authorGuerchais, Véronique
dc.contributor.authorZysman-Colman, Eli
dc.date.accessioned2019-01-30T00:33:38Z
dc.date.available2019-01-30T00:33:38Z
dc.date.issued2018-02-19
dc.identifier.citationHierlinger , C , Pal , A K , Stella , F , Lebl , T , Cordes , D B , Slawin , A M Z , Jacquemin , D , Guerchais , V & Zysman-Colman , E 2018 , ' Synthesis, characterization and optoelectronic properties of iridium complexes bearing nonconjugated six-membered chelating ligands ' , Inorganic Chemistry , vol. 57 , no. 4 , pp. 2023-2034 . https://doi.org/10.1021/acs.inorgchem.7b02940en
dc.identifier.issn0020-1669
dc.identifier.otherPURE: 252129230
dc.identifier.otherPURE UUID: 0672fdda-a74e-4f1c-b8f8-8b729313817c
dc.identifier.otherScopus: 85042209328
dc.identifier.otherORCID: /0000-0002-0269-3221/work/48131705
dc.identifier.otherORCID: /0000-0002-5366-9168/work/41547351
dc.identifier.otherORCID: /0000-0001-7183-6022/work/56639093
dc.identifier.otherORCID: /0000-0002-9527-6418/work/56861714
dc.identifier.otherORCID: /0000-0002-5677-5070/work/59464928
dc.identifier.otherWOS: 000426014800036
dc.identifier.urihttps://hdl.handle.net/10023/16956
dc.descriptionThe authors thank the EPSRC UK National Mass Spectrometry Facility at Swansea University for analytical services. C.H. acknowledges the Région Bretagne, France for funding. D.J. acknowledges the European Research Council and the Région des Pays de la Loire for financial support in the framework of a Starting Grant (Marches - 278845) and the LUMOMAT RFI project, respectively. This research used resources of 1) the GENCI-CINES/IDRIS, 2) the CCIPL (Centre de Calcul Intensif des Pays de Loire), 3) a local Troy cluster. E.Z.-C. acknowledges the University of St. Andrews and EPSRC (EP/M02105X/1) for financial support.en
dc.description.abstractWe report the synthesis, characterization and the optoelectronic properties of a series of four new luminescent iridium(III) complexes 1-4 , of the form [Ir(C^N)2(N^N)]PF6 [where C^N is the nonconjugated benzylpyridinato (bnpy) and N^N is a neutral diimine ancillary ligand] with the goal of investigating the impact of the methylene spacer between the coordination moieties of the C^N ligand on the optoelectronic properties of the complexes. The crystal structures of 1-3 illustrate two possible orientations of the methylene unit of the bnpy ligand. The formation of these two separate conformers is a result of the conformational flexibility of the bnpy ligand. In complexes 3 and 4 , mixtures of the two conformers were observed by 1H-NMR spectroscopy in CDCl3 at room temperature, whereas only a single conformer is detected for 1 and 2 . Detailed DFT calculations corroborate ROESY experiments, accounting for the presence and relative populations of the two conformers. The optoelectronic properties of all four complexes, rationalized by the theoretical study, demonstrate that the interruption of conjugation in the C^N ligands results in a reduced electrochemical gap but similar triplet state energies and lower photoluminescence quantum yields compared to the reference complexes R1-R4 . Depending on the nature of the N^N ligand, we observe (1) marked variations of the ratio of the conformers at ambient temperature and (2) phosphorescence ranging from yellow to red.
dc.language.isoeng
dc.relation.ispartofInorganic Chemistryen
dc.rights© 2018, American Chemical Society. 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 as such may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1021/acs.inorgchem.7b02940en
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleSynthesis, characterization and optoelectronic properties of iridium complexes bearing nonconjugated six-membered chelating ligandsen
dc.typeJournal articleen
dc.contributor.sponsorEPSRCen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. Organic Semiconductor Centreen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1021/acs.inorgchem.7b02940
dc.description.statusPeer revieweden
dc.date.embargoedUntil2019-01-30
dc.identifier.grantnumberEP/M02105X/1en


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