Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand (Articolo in rivista)

Type
Label
  • Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/ic901834v (literal)
Alternative label
  • Etienne Baranoff (+), Simona Fantacci (?§), Filippo De Angelis (?), Xianxi Zhang (+#), Rosario Scopelliti (+), Michael Grätzel (+), Md. Khaja Nazeeruddin (+) (2010)
    Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand
    in Inorganic chemistry
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Etienne Baranoff (+), Simona Fantacci (?§), Filippo De Angelis (?), Xianxi Zhang (+#), Rosario Scopelliti (+), Michael Grätzel (+), Md. Khaja Nazeeruddin (+) (literal)
Pagina inizio
  • 451 (literal)
Pagina fine
  • 462 (literal)
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  • http://pubs.acs.org/doi/abs/10.1021/ic901834v (literal)
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  • 50 (literal)
Rivista
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  • 12 (literal)
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  • 2 (literal)
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  • +. Laboratory for Photonics and Interfaces, Institute of Chemical Sciences and Engineering, School of Basic Sciences, Swiss Federal Institute of Technology, CH-1015 Lausanne, Switzerland ?. Istituto CNR di Scienze e Tecnologie Molecolari, c/o Dipartimento di Chimica, Università di Perugia, via Elce di Sotto 8, I-06123 Perugia, Italy § .Italian Institute of Technology (IIT), Center for Biomolecular Nanotechnologies, I-73010 Arnesano, Lecce, Italy #. School of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, P. R. China (literal)
Titolo
  • Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand (literal)
Abstract
  • Phenyl-imidazole-based ligands with various substitution patterns have been used as the main ligand for heteroleptic bis-cyclometalated iridium complexes. Two series of complexes have been prepared and their photophysical and electrochemical properties were studied. The phosphorescence emission maxima range from about 490 to 590 nm, that is, from greenish-blue to orange. The first series is of the form Ir(L)2(acac) (L: a phenyl-imidazole based ligand; acac: acetylacetonate). In the first complex, 1a, L is 1,4,5-trimethyl-2-phenyl-1H-imidazole. Then, methyl groups are replaced with phenyl groups and chlorines are grafted on the cyclometalated phenyl ring. The second series is of the form Ir(4,5-dimethyl-1,2-diphenyl-1H-imidazole)2(La) (La: ancillary ligand being acetylacetonate, acac, N,N-dimethylamino-picolinate, NPic, picolinate, Pic, or 2-(diphenylphosphino)acetic acid, P). These series show that modifying the substitution pattern on the ligands can alter the photophysical and electrochemical properties of the complexes. Overall, we show that compared to complexes containing phenyl-pyridine ligands, highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) are more delocalized over the entire main ligand in complexes containing phenyl-imidazole. Contrary to expectations, when chlorine atoms are used as strong acceptor substituents on the orthometalated phenyl, a red shift of the emission is observed. This behavior has been rationalized using theoretical calculations on the excited state of the chloro-substituted complex 3a compared to the model 1a. (literal)
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