0000000000319866

AUTHOR

Cathrin D. Ertl

showing 18 related works from this author

Highly Stable Red-Light-Emitting Electrochemical Cells

2017

The synthesis and characterization of a series of new cyclometalated iridium(III) complexes [Ir(ppy) 2 (N ∧ N)][PF 6 ] in which Hppy = 2-phenylpyridine and N ∧ N is (pyridin-2-yl)benzo[ d ]thiazole ( L1 ), 2-(4-( tert -butyl)pyridin-2-yl)benzo[ d ]thiazole ( L2 ), 2-(6-phenylpyridin-2-yl)benzo[ d ]thiazole ( L3 ), 2-(4-( tert -butyl)-6-phenylpyridin-2-yl)benzo[ d ]thiazole ( L4 ), 2,6-bis(benzo[ d ]thiazol-2-yl)pyridine ( L5 ), 2-(pyridin-2-yl)benzo[ d ]oxazole ( L6 ), or 2,2′-dibenzo[ d ]thiazole ( L7 ) are reported. The single crystal structures of [Ir(ppy) 2 ( L1 )][PF 6 ]·1.5CH 2 Cl 2 , [Ir(ppy) 2 ( L6 )][PF 6 ]·CH 2 Cl 2 , and [Ir(ppy) 2 ( L7 )][PF 6 ] have been determined. The new com…

LigandStereochemistrychemistry.chemical_element02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesBiochemistryMedicinal chemistryCatalysis0104 chemical sciencesElectrochemical cellchemistry.chemical_compoundColloid and Surface ChemistrychemistryPyridineRed lightIridium0210 nano-technologyThiazoleSingle crystalOxazoleJournal of the American Chemical Society
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Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)]+ complexes: its influence on photophysical properties and LEC performance

2016

A series of regioisomeric cationic iridium complexes of the type [Ir(C^N)2(bpy)][PF6] (bpy = 2,2'-bipyridine) is reported. The complexes contain 2-phenylpyridine-based cyclometallating ligands with a methylsulfonyl group in either the 3-, 4- or 5-position of the phenyl ring. All the complexes have been fully characterized, including their crystal structures. In acetonitrile solution, all the compounds are green emitters with emission maxima between 493 and 517 nm. Whereas substitution meta to the Ir-C bond leads to vibrationally structured emission profiles and photoluminescence quantum yields of 74 and 77%, placing a sulfone substituent in a para position results in a broad, featureless em…

Sulfonylchemistry.chemical_classificationPhotoluminescenceChemistrySubstituentQuantum yieldchemistry.chemical_element02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyPhotochemistry01 natural sciences0104 chemical sciencesSulfoneInorganic Chemistrychemistry.chemical_compoundCrystallographyDensity functional theoryIridiumTriplet state0210 nano-technologyDalton Transactions
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Colour tuning by the ring roundabout: [Ir(C^N)2(N^N)]+ emitters with sulfonyl-substituted cyclometallating ligands

2015

A series of cationic bis-cyclometallated iridium(III) complexes [Ir(C^N)2(N^N)]+ is reported. Cyclometallating C^N ligands are based on 2-phenylpyridine with electron-withdrawing sulfone substituents in the phenyl ring: 2-(4-methylsulfonylphenyl)pyridine (H1) and 2-(3-methylsulfonylphenyl)pyridine (H2). 2-(1H-Pyrazol-1-yl)pyridine (pzpy) and 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine (dmpzpy) are used as electron-rich ancillary N^N ligands. The complexes have been fully characterized and the single crystal structure of [Ir(2)2(dmpzpy)][PF6]·MeCN has been determined. Depending on the position of the methylsulfonyl group, the complexes are green or blue emitters with vibrationally structured em…

Sulfonylchemistry.chemical_classificationGeneral Chemical Engineeringchemistry.chemical_element02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyRing (chemistry)Photochemistry01 natural sciences0104 chemical sciencesSulfoneCrystallographychemistry.chemical_compoundchemistryPyridineDensity functional theoryIridiumTriplet state0210 nano-technologySingle crystalRSC Advances
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Exploring the effect of the cyclometallating ligand in 2-(pyridine-2-yl)benzo[d]thiazole-containing iridium(III) complexes for stable light-emitting …

2018

The preparation and characterization of a series of iridium(III) ionic transition-metal complexes for application in light-emitting electrochemical cells (LECs) are reported. The complexes are of the type [Ir(C^N)2(N^N)][PF6] in which C^N is one of the cyclometallating ligands 2-(3-(tert-butyl)phenyl)pyridine (tppy), 2-phenylbenzo[d]thiazole (pbtz), 1-phenyl-1H-pyrazole (ppz) and 1-phenylisoquninoline (piq), and N^N is 2-(pyridine-2-yl)benzo[d]thiazole (btzpy). The variation in the C^N ligands allows the HOMO energy level to be tuned, leading to HOMO–LUMO gaps in the range 2.76–3.01 eV and values of Eox1/2 of 0.81–1.11 V. In solution, the complexes are orange to deep-red emitters (λmax in t…

Materials sciencePhotoluminescenceLigandIonic bondingchemistry.chemical_element02 engineering and technologyGeneral ChemistryElectroluminescence010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryPyridineMaterials ChemistryDensity functional theoryIridium0210 nano-technologyThiazole
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Bis-Sulfone- and Bis-Sulfoxide-Spirobifluorenes: Polar Acceptor Hosts with Tunable Solubilities for Blue-Phosphorescent Light-Emitting Devices

2016

Bis-sulfone- and bis-sulfoxide-spirobifluorenes are a promising class of high-triplet-energy electron-acceptor hosts for blue phosphorescent light-emitting devices. The molecular design and synthetic route are simple and facilitate tailoring of the solubilities of the host materials without lowering the high-energy triplet state. The syntheses and characterization (including single-crystal structures) of four electron-accepting hosts are reported; the trend in their reduction potentials is consistent with the electron-withdrawing nature of the sulfone or sulfoxide substituents. Emission maxima of 421–432 nm overlap with the MLCT absorption of the sky-blue emitter bis(4,6-difluorophenyl-pyri…

Phosphine oxidechemistry.chemical_classificationOrganic ChemistrySulfoxide02 engineering and technologyElectron acceptor010402 general chemistry021001 nanoscience & nanotechnologyPhotochemistry01 natural sciencesAcceptor0104 chemical sciencesSulfonechemistry.chemical_compoundchemistryOLEDPhysical and Theoretical ChemistryTriplet state0210 nano-technologyPhosphorescenceEuropean Journal of Organic Chemistry
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Chloride ion impact on materials for light-emitting electrochemical cells

2013

Small quantities of Cl(-) ions result in dramatic reductions in the performance of ionic transition metal complexes in light-emitting electrochemical cells. Strong ion-pairing between aromatic protons and chloride has been established in both the solid state and solution. X-ray structural determination of 2{[Ir(ppy)2(bpy)][Cl]}·2CH2Cl2·[H3O]·Cl reveals the unusual nature of an impurity encountered in the preparation of [Ir(ppy)2(bpy)][PF6].

Inorganic ChemistryTransition metalImpurityChemistryInorganic chemistrymedicineSolid-stateIonic bondingChlorideElectrochemical cellmedicine.drugIon
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CCDC 1515402: Experimental Crystal Structure Determination

2017

Related Article: Cristina Momblona, Cathrin D. Ertl, Antonio Pertegás, José M. Junquera-Hernández, Maria-Grazia La-Placa, Alessandro Prescimone, Enrique Ortí, Catherine E. Housecroft, Edwin C. Constable, and Henk J. Bolink|2017|J.Am.Chem.Soc.|139|3237|doi:10.1021/jacs.6b13311

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(2-(pyridin-2-yl)-13-benzoxazole)-(bis(2-(pyridin-2-yl)phenyl))-iridium(iii) hexafluorophosphate dichloromethane solvateExperimental 3D Coordinates
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CCDC 959828: Experimental Crystal Structure Determination

2013

Related Article: Gabriel E. Schneider, Henk J. Bolink, Edwin C. Constable, Cathrin D. Ertl, Catherine E. Housecroft, Antonio Pertegàs, Jennifer A. Zampese, Andreas Kanitz, Florian Kessler, Sebastian B. Meier|2014|Dalton Trans.|43|1961|doi:10.1039/C3DT53229A

(22'-Bipyridine)-bis(2-(pyridin-2-yl)phenyl)-iridium hemikis(oxonium) sesquichloride dichloromethane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 974892: Experimental Crystal Structure Determination

2016

Related Article: Cathrin D. Ertl, Henk J. Bolink, Catherine E. Housecroft, Edwin C. Constable, Enrique Ortí, José M. Junquera-Hernández, Markus Neuburger, Nail M. Shavaleev, Mohammad Khaja Nazeeruddin and David Vonlanthen|2016|Eur.J.Org.Chem.|2016|2037|doi:10.1002/ejoc.201600247

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters27-bis(Phenylsulfonyl)-99'-spirobi[fluorene] dichloromethane solvateExperimental 3D Coordinates
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CCDC 1515401: Experimental Crystal Structure Determination

2017

Related Article: Cristina Momblona, Cathrin D. Ertl, Antonio Pertegás, José M. Junquera-Hernández, Maria-Grazia La-Placa, Alessandro Prescimone, Enrique Ortí, Catherine E. Housecroft, Edwin C. Constable, and Henk J. Bolink|2017|J.Am.Chem.Soc.|139|3237|doi:10.1021/jacs.6b13311

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bi-13-benzothiazole)-bis(2-(pyridin-2-yl)phenyl)-iridium hexafluorophosphateExperimental 3D Coordinates
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CCDC 1421913: Experimental Crystal Structure Determination

2016

Related Article: Cathrin D. Ertl, Lidón Gil-Escrig, Jesús Cerdá, Antonio Pertegás, Henk J. Bolink, José M. Junquera-Hernández, Alessandro Prescimone, Markus Neuburger, Edwin C. Constable, Enrique Ortí, Catherine E. Housecroft|2016|Dalton Trans.|45|11668|doi:10.1039/C6DT01325B

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates(22'-bipyridine)-bis(5-(methylsulfonyl)-2-(pyridin-2-yl)phenyl)-iridium hexafluorophosphate dichloromethane solvate
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CCDC 1421914: Experimental Crystal Structure Determination

2016

Related Article: Cathrin D. Ertl, Lidón Gil-Escrig, Jesús Cerdá, Antonio Pertegás, Henk J. Bolink, José M. Junquera-Hernández, Alessandro Prescimone, Markus Neuburger, Edwin C. Constable, Enrique Ortí, Catherine E. Housecroft|2016|Dalton Trans.|45|11668|doi:10.1039/C6DT01325B

Space GroupCrystallographyCrystal System(22'-bipyridine)-bis(4-(methylsulfonyl)-2-(pyridin-2-yl)phenyl)-iridium hexafluorophosphate hydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1055780: Experimental Crystal Structure Determination

2015

Related Article: Cathrin D. Ertl, Jesús Cerdá, José M. Junquera-Hernández, Antonio Pertegás, Henk J. Bolink, Edwin C. Constable, Markus Neuburger, Enrique Ortí, Catherine E. Housecroft|2015|RSC Advances|5|42815|doi:10.1039/C5RA07940C

Space GroupCrystallographyCrystal SystemCrystal Structure(2-(35-dimethyl-1H-pyrazol-1-yl)pyridine)-bis(4-(methylsulfonyl)-2-(pyridin-2-yl)phenyl)-iridium hexafluorophosphate acetonitrile solvateCell ParametersExperimental 3D Coordinates
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CCDC 1421915: Experimental Crystal Structure Determination

2016

Related Article: Cathrin D. Ertl, Lidón Gil-Escrig, Jesús Cerdá, Antonio Pertegás, Henk J. Bolink, José M. Junquera-Hernández, Alessandro Prescimone, Markus Neuburger, Edwin C. Constable, Enrique Ortí, Catherine E. Housecroft|2016|Dalton Trans.|45|11668|doi:10.1039/C6DT01325B

Space GroupCrystallography(22'-bipyridine)-bis(3-(methylsulfonyl)-2-(pyridin-2-yl)phenyl)-iridium hexafluorophosphateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 971737: Experimental Crystal Structure Determination

2013

Related Article: Gabriel E. Schneider, Henk J. Bolink, Edwin C. Constable, Cathrin D. Ertl, Catherine E. Housecroft, Antonio Pertegàs, Jennifer A. Zampese, Andreas Kanitz, Florian Kessler, Sebastian B. Meier|2014|Dalton Trans.|43|1961|doi:10.1039/C3DT53229A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(5-(Methylsulfonyl)-2-(pyridin-2-yl)phenyl)-(6-phenyl-22'-bipyridine)-iridium chlorideExperimental 3D Coordinates
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CCDC 1062206: Experimental Crystal Structure Determination

2017

Related Article: Cristina Momblona, Cathrin D. Ertl, Antonio Pertegás, José M. Junquera-Hernández, Maria-Grazia La-Placa, Alessandro Prescimone, Enrique Ortí, Catherine E. Housecroft, Edwin C. Constable, and Henk J. Bolink|2017|J.Am.Chem.Soc.|139|3237|doi:10.1021/jacs.6b13311

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(2-(pyridin-2-yl)-13-benzothiazole)-(bis(2-(pyridin-2-yl)phenyl))-iridium(iii) hexafluorophosphate dichloromethane solvateExperimental 3D Coordinates
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CCDC 993287: Experimental Crystal Structure Determination

2016

Related Article: Cathrin D. Ertl, Henk J. Bolink, Catherine E. Housecroft, Edwin C. Constable, Enrique Ortí, José M. Junquera-Hernández, Markus Neuburger, Nail M. Shavaleev, Mohammad Khaja Nazeeruddin and David Vonlanthen|2016|Eur.J.Org.Chem.|2016|2037|doi:10.1002/ejoc.201600247

Space GroupCrystallographyCrystal System27-bis(Pentylsulfonyl)-99'-spirobi[fluorene]Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 974893: Experimental Crystal Structure Determination

2016

Related Article: Cathrin D. Ertl, Henk J. Bolink, Catherine E. Housecroft, Edwin C. Constable, Enrique Ortí, José M. Junquera-Hernández, Markus Neuburger, Nail M. Shavaleev, Mohammad Khaja Nazeeruddin and David Vonlanthen|2016|Eur.J.Org.Chem.|2016|2037|doi:10.1002/ejoc.201600247

Space GroupCrystallography27-bis(Mesitylsulfonyl)-99'-spirobi[fluorene]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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