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• W2076670894 endingPage "3700" @default.
• W2076670894 startingPage "3700" @default.
• W2076670894 abstract "A DFT/TDDFT investigation was performed on the electronic structures, basic photophysical properties and potential OLED applications of a series of Ir(III) complexes [(fpmb)2Ir(fptz)] (1a), [(dfpmb)2Ir(fptz)] (2a), [(fpmb)2Ir(bptz)] (3a), [(dfpmb)2Ir(bptz)] (4a) [where H2fpmb = 1-(4-fluorophenyl)-2,3-dihydro-3-methyl-1H-benzo[d]imidazole; H2dfpmb = 1-(2,4-fluorophenyl)-2,3-dihydro-3-methyl-1H-benzo[d]imidazole; fptzH = 2-(5-(trifluoromethyl)-2H-1,2,4-triazol-3-yl)pyridine; bptzH = 4-tert-butyl-2-(5-(trifluoromethyl)-2H-1,2,4-triazol-3-yl)pyridine] and [(fbmb)2Ir(fptz)] (1b), [(dfbmb)2Ir(fptz)] (2b), [(fbmb)2Ir(bptz)] (3b), [(dfbmb)2Ir(bptz)] (4b) [where H2fbmb = 1-(4-fluorobenzyl)-2,3-dihydro-3-methyl-1H-benzo[d]imidazole; H2dfbmb = 1-(2,4-fluorobenzyl)-2,3-dihydro-3-methyl-1H-benzo[d]imidazole] bearing two conjugated and nonconjugated carbene ligands respectively and one blue-emitting chromophore that possesses a much larger ligand energy gap. It is found that the photophysical properties of these complexes are greatly affected by the properties of the adopted ligands. From 1b to 4b, the insertion of a saturated σ-bond methylene spacer into the carbene ligand renders an increase of the HOMO–LUMO energy gap, but relatively weak absorption intensities. The emission spectra are slightly influenced by the switch between conjugated and nonconjugated ligands. Furthermore, on the basis of the calculations, the significantly higher quantum yield of 2b and 3b with respect to 3a is also explained with the assistance of their larger metal contribution to the lowest excited states (MLCT%) and smaller S1–T2 splitting energies (ΔES1–T2). Besides, the designed complexes 1b and 4b are considered to be potential candidates as blue-emitting materials with good charge transfer properties and high quantum efficiency." @default.
• W2076670894 created "2016-06-24" @default.
• W2076670894 creator A5018863416 @default.
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• W2076670894 creator A5051858597 @default.
• W2076670894 creator A5073434627 @default.
• W2076670894 date "2013-01-01" @default.
• W2076670894 modified "2023-10-16" @default.
• W2076670894 title "DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent Ir(iii) complexes with conjugated/non-conjugated carbene ligands" @default.
• W2076670894 cites W1668566020 @default.
• W2076670894 cites W189827329 @default.
• W2076670894 cites W1964395868 @default.
• W2076670894 cites W1966182479 @default.
• W2076670894 cites W1967793719 @default.
• W2076670894 cites W1968621300 @default.
• W2076670894 cites W1969514485 @default.
• W2076670894 cites W1979102452 @default.
• W2076670894 cites W1980197072 @default.
• W2076670894 cites W1981368803 @default.
• W2076670894 cites W1986184691 @default.
• W2076670894 cites W1986426264 @default.
• W2076670894 cites W1987392436 @default.
• W2076670894 cites W1994562837 @default.
• W2076670894 cites W1995042715 @default.
• W2076670894 cites W2000181483 @default.
• W2076670894 cites W2000614287 @default.
• W2076670894 cites W2001270915 @default.
• W2076670894 cites W2003629718 @default.
• W2076670894 cites W2005892710 @default.
• W2076670894 cites W2008423326 @default.
• W2076670894 cites W2017861660 @default.
• W2076670894 cites W2019265638 @default.
• W2076670894 cites W2023191988 @default.
• W2076670894 cites W2023271753 @default.
• W2076670894 cites W2024322856 @default.
• W2076670894 cites W2025821805 @default.
• W2076670894 cites W2031240265 @default.
• W2076670894 cites W2031301453 @default.
• W2076670894 cites W2031366708 @default.
• W2076670894 cites W2031872440 @default.
• W2076670894 cites W2036703429 @default.
• W2076670894 cites W2038083805 @default.
• W2076670894 cites W2044524518 @default.
• W2076670894 cites W2044961513 @default.
• W2076670894 cites W2046864680 @default.
• W2076670894 cites W2051036147 @default.
• W2076670894 cites W2052329392 @default.
• W2076670894 cites W2052831210 @default.
• W2076670894 cites W2054704030 @default.
• W2076670894 cites W2055807091 @default.
• W2076670894 cites W2058398316 @default.
• W2076670894 cites W2058627048 @default.
• W2076670894 cites W2060517372 @default.
• W2076670894 cites W2062852634 @default.
• W2076670894 cites W2067892423 @default.
• W2076670894 cites W2068514900 @default.
• W2076670894 cites W2068617439 @default.
• W2076670894 cites W2071569358 @default.
• W2076670894 cites W2071787809 @default.
• W2076670894 cites W2073338561 @default.
• W2076670894 cites W2073516511 @default.
• W2076670894 cites W207396953 @default.
• W2076670894 cites W2079902396 @default.
• W2076670894 cites W2081008034 @default.
• W2076670894 cites W2085400086 @default.
• W2076670894 cites W2087493992 @default.
• W2076670894 cites W2089861124 @default.
• W2076670894 cites W2092680600 @default.
• W2076670894 cites W2094408698 @default.
• W2076670894 cites W2095917356 @default.
• W2076670894 cites W2100960564 @default.
• W2076670894 cites W2102219202 @default.
• W2076670894 cites W2105390035 @default.
• W2076670894 cites W2106824077 @default.
• W2076670894 cites W2112850441 @default.
• W2076670894 cites W2119249051 @default.
• W2076670894 cites W2120436453 @default.
• W2076670894 cites W2123223260 @default.
• W2076670894 cites W2123491942 @default.
• W2076670894 cites W2143981217 @default.
• W2076670894 cites W2150697053 @default.
• W2076670894 cites W2151256381 @default.
• W2076670894 cites W2151704214 @default.
• W2076670894 cites W2158422033 @default.
• W2076670894 cites W2164325425 @default.
• W2076670894 cites W2165521501 @default.
• W2076670894 cites W2171445884 @default.
• W2076670894 cites W2234785423 @default.
• W2076670894 cites W2320011143 @default.
• W2076670894 cites W2326632785 @default.
• W2076670894 cites W3021518424 @default.
• W2076670894 cites W4249293795 @default.
• W2076670894 doi "https://doi.org/10.1039/c3tc30206g" @default.
• W2076670894 hasPublicationYear "2013" @default.
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