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Two new fluorinated phenylisoquinoline-based iridium(Ⅲ) complexes,[Ir(f_2piq)_2(bipy)][PF_6](3a) and[Ir(fmpiq)_2(bipy)][PF_6](3b)(f_2piq = l-(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 [Ir (f_2piq) _2 (bipy)] [PF_6] (3a) and [Ir (fmpiq) _2 (bipy)] [PF_6] (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 provided 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 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.