کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1441845 | 1509417 | 2012 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2′,3′-h]quinoxaline ligand Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2′,3′-h]quinoxaline ligand](/preview/png/1441845.png)
We report a theoretical analysis of a family of cyclometalated cationic iridium(III) complexes: [Ir(C^N)2(N^N)]+ [N^N = dipyrido[3,2-f:2′,3′-h]quinoxaline(dpq), HC^N = 1-phenylpyrazole(Hppz) (1); HC^N = 7,8-benzoquinoline(Hbzq) (2); HC^N = 2-phenylquinoline(Hpq) (3); HC^N = 1-(2,4-diflourophenyl) pyrazole(Hdfppz) (4), HC^N = 1-(2,4-dimethylphenyl) pyrazole(Hdmppz) (5), HC^N = 1-(2,4-diflourophenyl)-1,2,4-triazole(Hdfptz) (6)] by using density functional theory (DFT) method to investigate their optoelectronic properties and understand the phosphorescent efficiency mechanism. Complexes 1–3 exhibit green to yellow luminescence. The different quantum efficiencies of 1–3 in methanol (MeOH), acetonitrile (CH3CN), and dichloromethane (CH2Cl2) solvents have been explained by calculated results. Complexes 4 and 5 show different trend in the absorption and emission spectra comparing with 1 due to the added different substituent on the phenyl of ppzH. The emission wavelength of the assumed complex 6 bearing the triazole in C^N ligand is blue-shifted to the blue region. We suggest complex 6 might be a potential candidate as blue-emitting material.
The electronic structures and optoelectronic properties of several cyclometalated cationic iridium(III) complexes: [Ir(C^N)2(N^N)]+ are investigated theoretically. The quantum efficiencies for all complexes have been explained by our calculated results. The assumed complex 6 might be a potential candidate for blue-emitting material.Figure optionsDownload as PowerPoint slideHighlights
► We explained the different phosphorescent efficiency in different media.
► The emission of Ir(ppz)2(dpq) is red-shifted and blue-shifted by adding different substitutes
► Ir(dfptz)2(dpq) is a potential blue emitter.
Journal: Synthetic Metals - Volume 162, Issues 15–16, September 2012, Pages 1392–1399