Cortes-Arriagada, Diego published the artcileInsights into the luminescent properties of anionic cyclometalated iridium(III) complexes with ligands derived from natural products, Formula: C8H5F3O3, the publication is International Journal of Quantum Chemistry (2018), 118(17), n/a, database is CAplus.
In the search of remarkable anionic electroluminescent semiconductors to be applied in energy conversion devices such as Light Emitting Electrochem. Cells, we report the electronic, photophys., and charge injection/transfer properties of a series of cyclometalated iridium(III) complexes through a DFT/TD-DFT procedure. The proposed semiconductors involve bidentated ligands based on natural products (salicylic acid and boldine), and phenylpyridine and phenylpyrazole as the cyclometalating units. The proposed compounds emit in the range of 446 to 571 nm, where the boldine based compounds have red-shifted emissions compared to their analogs with salicylic acid. Blue phosphors were obtained by the use of phenylpyrazole units; however, the ligand field is weak in these cases compared to the ligand field exerted by the phenylpyridine ligands. The latter allows the accessibility to the radiationless states for emitters below 495 nm as a result of the increased stability of the metal centered excited states; consequently, the luminescent quantum yield could be decreased. Conversely, the semiconductors with phenylpyridine units show a restricted accessibility to radiationless processes, which could result in emitters with a high luminescent quantum yield and low non-radiative constants Finally, the proposed anionic semiconductors show a better balance between hole/electron transfer rate compared to related cationic Ir(III) complexes; while, the easier hole-electron injection is favored for semiconductors with salicylic acid and phenylpyridine units.
International Journal of Quantum Chemistry published new progress about 328-90-5. 328-90-5 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Carboxylic acid,Benzene,Phenol, name is 2-Hydroxy-4-(trifluoromethyl)benzoic acid, and the molecular formula is C8H5F3O3, Formula: C8H5F3O3.
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