Liu, Yuqi’s team published research in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices in 1 | CAS: 219508-27-7

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Liu, Yuqi published the artcileDFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent Ir(III) complexes with conjugated/non-conjugated carbene ligands, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is Journal of Materials Chemistry C: Materials for Optical and Electronic Devices (2013), 1(23), 3700-3709, database is CAplus.

A DFT/TDDFT study was performed on the electronic structures, basic photophys. properties and potential OLED applications 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 non-conjugated carbene ligands, resp., and one blue-emitting chromophore that possesses a much larger ligand energy gap. The photophys. 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 non-conjugated ligands. Also, from 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.

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics