Mononuclear copper(i) complexes bearing a 3-phenyl-5-(pyridin-4-yl)-1,2,4-triazole ligand: synthesis, crystal structure, TADF-luminescence, and mechanochromic effects

• Three new mononuclear heteroleptic copper(i) halide complexes, [CuL(PPh3)(2)X] (X = Cl, Br, I), based on 3-phenyl-5-(pyridin-4-yl)-1,2,4-triazole (L) and triphenylphosphine (PPh3) ligands, have been prepared by reaction of CuX (X = Cl, Br, I), L and PPh3 in a molar ratio of 1 : 1 : 2 in MeCN solutions. The synthesized complexes exhibit blue light emission in solutions and bright green emission in the crystal state with quantum yields of up to 100%. The luminescence decay analysis and density functional theory calculations revealed that the emission of solid samples at room temperature corresponds to the thermally activated delayed fluorescence, while that at 77 K is assigned to phosphorescence. Utilizing the studied complexes in OLED heterostructures resulted in high-performing green-emitting devices with an external quantum efficiency of up to 13.4%.

Subject headings

NATURVETENSKAP  -- Kemi -- Oorganisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)

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art (subject category)