کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1254482 971376 2016 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
New luminescent cyclometalated iridium(III) complexes containing fluorinated phenylisoquinoline-based ligands: Synthesis, structures, photophysical properties and DFT calculations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
New luminescent cyclometalated iridium(III) complexes containing fluorinated phenylisoquinoline-based ligands: Synthesis, structures, photophysical properties and DFT calculations
چکیده انگلیسی

Two new fluorinated phenylisoquinoline-based iridium(III) complexes, [Ir(f2piq)2(bipy)][PF6] (3a) and [Ir(fmpiq)2(bipy)][PF6] (3b) (f2piq = 1-(2,4-difluorophenyl)isoquinoline, fmpiq = 1-(4-fluoro-2-methylphenyl)isoquinoline, bipy = 2,2′-bipyridine), have been synthesized and fully characterized. Single crystal X-ray diffraction study has been undertaken on complexes 3a and 3b, which show that each adopts the distorted octahedral coordination geometry with the cis-C,C′ and trans-N,N′ configuration. The photoluminescence spectra of 3a and 3b exhibit yellow and orange emission maxima at 584 and 600 nm, respectively. The frontier molecular orbital diagrams and the lowest-energy electronic transitions of 3a–3b have been calculated with density functional theory (DFT) and time-dependent DFT (TD-DFT). The absorption and emission spectra of complex 3b is red-shifted relative to those of complex 3a, as a consequence of the nature of the methyl group.

Two new fluorinated phenylisoquinoline-based iridium(III) complexes have been synthesized and fully characterized. Their photophysical properties have been investigated, and the lowest-energy electronic transitions of absorption spectra have been analyzed by means of time-dependent density functional theory (TD-DFT).Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Chemical Letters - Volume 27, Issue 3, March 2016, Pages 428–432
نویسندگان
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