Orange-Red Phosphorescent Iridium(III) Complexes Bearing Bisphosphine Ligands: Synthesis, Photophysical and Electrochemical Properties, and DFT Calculations
| Autor: | Zhi-Gang Niu, Tao Zheng, Shao-Bin Dou, Xiao-Han Yang, Xiao-Qing Chen, Wei Sun, Zheng-Rong Mo, Guang-Ying Chen, Gao-Nan Li, Shuang Wang |
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| Rok vydání: | 2017 |
| Předmět: |
Xanthene
010405 organic chemistry Xantphos Organic Chemistry chemistry.chemical_element Crystal structure 010402 general chemistry 01 natural sciences Medicinal chemistry 0104 chemical sciences Inorganic Chemistry chemistry.chemical_compound chemistry Density functional theory Iridium Physical and Theoretical Chemistry Isoquinoline Phosphorescence BINAP |
| Zdroj: | Organometallics. 37:78-86 |
| ISSN: | 1520-6041 0276-7333 |
| DOI: | 10.1021/acs.organomet.7b00740 |
| Popis: | Nine new phosphorus-coordinated iridium(III) complexes of the form [Ir(C∧N)2(P∧P)]PF6, [Ir(F-piq)2(xantphos)]PF6 (1), [Ir(F-piq)2(binap)]PF6 (2), [Ir(F-piq)2(dppp)]PF6 (3), [Ir(Me-piq)2(xantphos)]PF6 (4), [Ir(Me-piq)2(binap)]PF6 (5), [Ir(Me-piq)2(dppp)]PF6 (6), [Ir(CF3O-piq)2(xantphos)]PF6 (7), [Ir(CF3O-piq)2(binap)]PF6 (8), and [Ir(CF3O-piq)2(dppp)]PF6 (9) (F-piq = 1-(4-fluorophenyl)isoquinoline, Me-piq = 1-(p-tolyl)isoquinoline, CF3O-piq = 1-(4-(trifluoromethoxy)phenyl)isoquinoline, xantphos = 9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene, binap = 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl, dppp = 1,3-bis(diphenylphosphanyl)propane), have been synthesized and fully characterized. The crystal structures of 1, 7, and 9 have been determined by X-ray analysis. The most representative molecular orbital energy-level diagrams and the lowest energy electronic transitions of 1–9 have been calculated with density functional theory (DFT) and time-dependent DFT (TD-DFT). All of the complexes are orange-red emiss... |
| Databáze: | OpenAIRE |
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