The role of substituents on functionalized 1,10-phenanthroline in controlling the emission properties of cationic iridium(III) complexes of interest for electroluminescent devices
| Autor: | Dominique Roberto, Antonio Sgamellotti, Miguel C. Ramon, Stefania Righetto, Filippo De Angelis, Patrizia R. Mussini, Luigi Falciola, Michele Muccini, Renato Ugo, Simona Fantacci, Adriana Valore, Claudia Dragonetti |
|---|---|
| Rok vydání: | 2007 |
| Předmět: |
Phenanthroline
Quantum yield chemistry.chemical_element CYCLOMETALATED IRIDIUM(III) QUANTUM YIELDS ELECTRONIC CHARACTERIZATION PHOTOPHYSICAL PROPERTIES BLUE PHOSPHORESCENCE NONRADIATIVE DECAY IR(III) COMPLEXES EMITTING DEVICES ENERGY-TRANSFER AXIAL SYMMETRY Electronic structure Electroluminescence Photochemistry Electrochemistry Inorganic Chemistry chemistry.chemical_compound Iridium Physical and Theoretical Chemistry chemistry Physical chemistry Density functional theory Ground state |
| Zdroj: | Inorganic chemistry 46 (2007): 8533–8547. doi:10.1021/ic700414z info:cnr-pdr/source/autori:Claudia Dragonetti; Luigi Falciola; Patrizia Mussini; Stefania Righetto; Dominique Roberto; Renato Ugo; Adriana Valore;Filippo De Angelis; Simona Fantacci; Antonio Sgamellotti; Miguel Ramon; Michele Muccini/titolo:The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices/doi:10.1021%2Fic700414z/rivista:Inorganic chemistry/anno:2007/pagina_da:8533/pagina_a:8547/intervallo_pagine:8533–8547/volume:46 |
| ISSN: | 0020-1669 |
| DOI: | 10.1021/ic700414z |
| Popis: | The photophysical and electrochemical properties of the novel complexes [Ir(ppy)(2)(5-X-1,10-phen)][PF(6)] (ppy = 2-phenylpyridine, phen = phenanthroline, X = NMe(2), NO(2)), [Ir(pq)(2)(5-X-1,10-phen)][PF(6)] (pq = 2-phenylquinoline, X = H, Me, NMe(2), NO(2)), [Ir(ppy)2(4-Me,7-Me-1,10-phen)][PF(6)], [Ir(ppy)2(5-Me,6-Me-1,10-phen)][PF(6)], [Ir(ppy)(2)(2-Me,9-Me-1,10-phen)][PF(6)], and [Ir(pq)2(4-Ph,7-Ph-1,10-phen)][PF(6)] have been investigated and compared with those of the known reference complexes [Ir(ppy)(2)(4-Me or 5-H or 5-Me-1,10-phen)][PF(6)] and [Ir(ppy)(2)(4-Ph,7-Ph-1,10-phen)][PF(6)], showing how the nature and number of the phenanthroline substituents tune the color of the emission, its quantum yield, and the emission lifetime. It turns out that the quantum yield is strongly dependent on the nonradiative decay. The geometry, ground state, electronic structure, and excited electronic states of the investigated complexes have been calculated on the basis of density functional theory (DFT) and time-dependent DFT approaches, thus substantiating the electrochemical measurements and providing insight into the electronic origin of the absorption spectra and of the lowest excited states involved in the light emission process. These results provide useful guidelines for further tailoring of the photophysical properties of ionic Ir(III) complexes. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|