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dc.contributor.authorHasan, Kamrul
dc.contributor.authorDonato, Loic
dc.contributor.authorShen, Yulong
dc.contributor.authorSlinker, Jason D.
dc.contributor.authorZysman-Colman, Eli
dc.identifier.citationHasan , K , Donato , L , Shen , Y , Slinker , J D & Zysman-Colman , E 2014 , ' Cationic iridium(III) complexes bearing ancillary 2,5-dipyridyl(pyrazine) (2,5-dpp) and 2,2 ':5 ',2 ''-terpyridine (2,5-tpy) ligands : synthesis, optoelectronic characterization and light-emitting electrochemical cells ' , Dalton Transactions , vol. 43 , no. 36 , pp. 13672-13682 .
dc.identifier.otherPURE: 152889146
dc.identifier.otherPURE UUID: 4ea7ec4d-1abd-4d44-875d-4cf7b37169eb
dc.identifier.otherWOS: 000341282100025
dc.identifier.otherScopus: 84906317506
dc.identifier.otherORCID: /0000-0001-7183-6022/work/56639074
dc.identifier.otherWOS: 000341282100025
dc.description.abstractFour cationic iridium(III) complexes of the form [Ir(C^N)2(N^N)]+ bearing either a 2,5-dipyridylpyrazine (2,5-dpp) or a 2,2′:5′,2′′-terpyridine (2,5-tpy) ancillary ligand and either 2-phenylpyridine (ppy) or a 2-(2,4-difluorophenyl)-5-methylpyridine (dFMeppy) cyclometalating ligands were synthesized. The optoelectronic properties of all complexes have been fully characterized by UV-visible absorption, cyclic voltammetry and emission spectroscopy. The conclusions drawn from these studies have been corroborated by DFT and TDDFT calculations. The four complexes were assessed as emitters in light-emitting electrochemical cells. Complex 1a, [Ir(ppy)2(2,5-dpp)]PF6, was found to be a deep red emitter (666 nm) both in acetonitrile solution and in the electroluminescent device. Complex 2a, [Ir(ppy)2(2,5-tpy)]PF6 was found to be an orange emitter (604 nm) both in solution and in the LEEC. LEECs incorporating both of these complexes were stable over the course of around 4–6 hours. Complex 1b, [Ir(dFMeppy)2(2,5-dpp)]PF6, was also determined to emit in the orange (605 nm) but with a photoluminescent quantum yield (ΦPL) double that of 2a. Complex 2b, [Ir(dFMeppy)2(2,5-tpy)]PF6 is an extremely bright green emitter (544 nm, 93%). All four complexes exhibited quasireversible electrochemistry and all four complexes phosphoresce from a mixed charge-transfer excited state.
dc.relation.ispartofDalton Transactionsen
dc.rights© Royal Society of Chemistry 2014. This work is 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
dc.subjectMolecular-orbital methodsen
dc.subjectExtended basis-setsen
dc.subjectValence basis-setsen
dc.subjectCompact effective potentialsen
dc.subjectDensity-functional theoryen
dc.subjectExcited-state propertiesen
dc.subjectExponent basis-setsen
dc.subjectGaussian-type basisen
dc.subjectPhotophysical propertiesen
dc.subjectQD Chemistryen
dc.titleCationic iridium(III) complexes bearing ancillary 2,5-dipyridyl(pyrazine) (2,5-dpp) and 2,2 ':5 ',2 ''-terpyridine (2,5-tpy) ligands : synthesis, optoelectronic characterization and light-emitting electrochemical cellsen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.description.statusPeer revieweden

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