0000000000319866
AUTHOR
Cathrin D. Ertl
Highly Stable Red-Light-Emitting Electrochemical Cells
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…
Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)]+ complexes: its influence on photophysical properties and LEC performance
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…
Colour tuning by the ring roundabout: [Ir(C^N)2(N^N)]+ emitters with sulfonyl-substituted cyclometallating ligands
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…
Exploring the effect of the cyclometallating ligand in 2-(pyridine-2-yl)benzo[d]thiazole-containing iridium(III) complexes for stable light-emitting electrochemical cells
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…
Bis-Sulfone- and Bis-Sulfoxide-Spirobifluorenes: Polar Acceptor Hosts with Tunable Solubilities for Blue-Phosphorescent Light-Emitting Devices
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…
Chloride ion impact on materials for light-emitting electrochemical cells
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].
CCDC 1515402: Experimental Crystal Structure Determination
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
CCDC 959828: Experimental Crystal Structure Determination
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
CCDC 974892: Experimental Crystal Structure Determination
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
CCDC 1515401: Experimental Crystal Structure Determination
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
CCDC 1421913: Experimental Crystal Structure Determination
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
CCDC 1421914: Experimental Crystal Structure Determination
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
CCDC 1055780: Experimental Crystal Structure Determination
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
CCDC 1421915: Experimental Crystal Structure Determination
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
CCDC 971737: Experimental Crystal Structure Determination
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
CCDC 1062206: Experimental Crystal Structure Determination
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
CCDC 993287: Experimental Crystal Structure Determination
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
CCDC 974893: Experimental Crystal Structure Determination
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