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

Abstract

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%.