Structure-Property Relationship in Amber Color Light-Emitting Electrochemical Cell with TFSI Counteranion: Enhancing Device Performance by Different Substituents on N^N Ligand

dc.contributor.authorDemir N.
dc.contributor.authorKaraman M.
dc.contributor.authorYakali G.
dc.contributor.authorTugsuz T.
dc.contributor.authorDenizalti S.
dc.contributor.authorDemic S.
dc.contributor.authorCan M.
dc.date.accessioned2021-05-03T20:59:04Z
dc.date.available2021-05-03T20:59:04Z
dc.date.issued2021
dc.description.abstractAmber color emitting novel Ir(III) complexes were synthesized: [Ir(Meppy)2(Fpbpy)][PF6] (1bPF6), [Ir(Meppy)2(Fpbpy)][TFSI] (1bTFSI), [Ir(Meppy)2(MeObpy)][PF6] (2bPF6) and [Ir(Meppy)2(MeObpy)][TFSI] (2bTFSI), where Meppy = 2-(p-methylphenyl)-pyridine (b), Fpbpy = 4,4?-bis(4-fluorophenyl)-2,2?-bipyridine (1), and MeObpy = 4,4?-bis(4-methoxy)-2,2?-bipyridine (2). The photophysical and X-ray results showed that the complexes have aggregation-induced phosphorescent emission (AIPE) and a salt-induced polymorphism effect. The highest photoluminescence intensity was observed in complex 2bTFSI compared to other complexes in the solid state. Their theoretical absorption and phosphorescence emission transitions in acetonitrile were also investigated by using double- and triple-? basis sets with B3LYP and PBE0 hybrid functional. The best light-emitting electrochemical cell (LEC) performance was exhibited by complex 2bTFSI, and the data obtained were as follows: Luminance, current density, luminous efficiency, turn-on time, power efficiency, and external quantum efficiency were measured as 16 156 cd/m2, 554 mA/cm2, 8.49 cd/A, 17 s, 3.95 lm/W and 6.37%, respectively. The investigation of crystallographic characteristics have shown that the LEC performance of these complexes depends on cationic-anionic interaction which has a significant influence on molecular stacking of the molecules. Because, complex 2bTFSI, with weak cationic-anionic interactions, shows strong ?···?stacking interactions between the adjacent molecules, it is the best lighting application candidate among the complexes. © 2021 American Chemical Society.en_US
dc.description.sponsorship17 GEE 004 16DPT002 Dokuz Eylül Üniversitesi: KB.FEN.13en_US
dc.description.sponsorshipWe thank the Ege University Solar Energy Institute for photophysical, NMR, CV analysis, and optoelectronic measurements (grant no. 17 GEE 004 and TUBITAK: 16DPT002). We also thank Izmir Katip Celebi University Central Research Laboratory for TGA analysis. We are grateful to Dokuz Eylul University for crystallographic measurements (Agilent Xcalibur Eos diffractometer, grant no. 2010.KB.FEN.13). We also thank Hacettepe University and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources) for DFT and TD-DFT calculations.en_US
dc.identifier.doi10.1021/acs.inorgchem.0c02939en_US
dc.identifier.issn0020-1669
dc.identifier.pmid33667070en_US
dc.identifier.scopus2-s2.0-85103451693en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.0c02939
dc.identifier.urihttps://hdl.handle.net/11454/71573
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofInorganic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleStructure-Property Relationship in Amber Color Light-Emitting Electrochemical Cell with TFSI Counteranion: Enhancing Device Performance by Different Substituents on N^N Liganden_US
dc.typeArticleen_US

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