《Roles of Ancillary Chelates and Overall Charges of Bis-tridentate Ir(III) Phosphors for OLED Applications》 was published in ACS Applied Materials & Interfaces in 2020. These research results belong to Hsu, Ling-Yang; Chen, Deng-Gao; Liu, Shih-Hung; Chiu, Ting-Ya; Chang, Chih-Hao; Jen, Alex K.-Y.; Chou, Pi-Tai; Chi, Yun. Computed Properties of C5H3Br2N The article mentions the following:
A series of charge-neutral bis-tridentate Ir(III) complexes (1, 3, and 4) were prepared via employing three distinctive tridentate prochelates, i.e., (pzptBphFO)H2, [(phpyim)H2·(PF6)], and [(pimb)H3·(PF6)2], which possess one dianionic pzptBphFO, together with a second monoanionic tridentate chelate, namely, (pzptBphFO)H, phpyim, and pimb, resp. Moreover, a homoleptic, charge-neutral complex 2 was obtained by methylation of chelating (pzptBphFO)H of 1 in basic media, while closely related cationic complexes 5-7 were obtained by further methylation of the remaining pyrazolate unit of previously mentioned neutral complexes 2-4, followed by anion metatheses. All of these Ir(III) metal complexes showed a broadened emission profile with an onset at ∼450 nm, a result of an enlarged ligand-centered ππ* transition gap, but with distinct efficiencies ranging from 0.8% to nearly unity. Comprehensive spectroscopic and computational approaches were executed, providing a correlation for the emission efficiencies vs. energy gaps and between the metal-to-ligand charge transfer/ππ* emitting excited state and upper-lying metal-centered dd quenching state. Furthermore, Ir(III) complexes 3 and 4 were selected as dopant emitters in the fabrication of sky-blue phosphorescent organic light-emitting diodes, affording maximum external quantum efficiencies of 16.7 and 14.6% with CIEx,y coordinates of (0.214, 0.454) and (0.191, 0.404) at a c.d. of 102 cd/m2, resp. Hence, this research highlights an inherent character of bis-tridentate Ir(III) complexes in achieving high phosphorescence quantum yield at the mol. level. In the experimental materials used by the author, we found 2,6-Dibromopyridine(cas: 626-05-1Computed Properties of C5H3Br2N)
2,6-Dibromopyridine(cas: 626-05-1) belongs to pyridine. Pyridine is widely used in the precursor to agrochemicals and pharmaceuticals. Also, it is used as an important reagent and organic solvent.Computed Properties of C5H3Br2N