A dinuclear cuprous complex[(mapypz)Cu(μ-I)2 Cu(mapypz)](1,mapypz=9,9-dimethyl-10-(6-(3-phenyl-1H-pyrazol-1-yl)-pyridin-3-yl)-9,10-dihydroacridine)was synthesized from the reaction of equivalent CuⅠand mapypz at roo...A dinuclear cuprous complex[(mapypz)Cu(μ-I)2 Cu(mapypz)](1,mapypz=9,9-dimethyl-10-(6-(3-phenyl-1H-pyrazol-1-yl)-pyridin-3-yl)-9,10-dihydroacridine)was synthesized from the reaction of equivalent CuⅠand mapypz at room temperature.The compound crystallizes in monoclinic space group P21/c with a=13.8300(4),b=9.5365(2),c=19.0833(5)?,β=103.017(3)o,V=2452.23(11)?3,Z=2,Mr=1237.92,Dc=1.677 g/cm3,F(000)=1232,μ=11.334 mm^–1,GOOF=1.001,the final R=0.0330,and wR=0.0741 for 4627 observed reflections withⅠ>2σ(Ⅰ).The Cu(I)atoms in the complex are four-coordinated with a distorted tetrahedral coordination geometry.The copper centers in the molecular structure are bridged by two iodide anions and each Cu(I)is chelated further terminally by a diimine ligand.The[Cu(μ-I)2 Cu]core is planar.Ⅰn the solid state,the complex exhibits orange photoluminescence with emission peakλmax=568 nm,lifetimeτ=16μs and quantum yieldф=0.22 at room temperature.The studies of varied temperature emission spectra and decay behaviours of the complex indicate that it displays thermally activated delayed fluorescence at room temperature.The results of experimental and DFT calculations suggest that the emission in the solid state originates from the 1,3 MLCT excited states.展开更多
文摘A dinuclear cuprous complex[(mapypz)Cu(μ-I)2 Cu(mapypz)](1,mapypz=9,9-dimethyl-10-(6-(3-phenyl-1H-pyrazol-1-yl)-pyridin-3-yl)-9,10-dihydroacridine)was synthesized from the reaction of equivalent CuⅠand mapypz at room temperature.The compound crystallizes in monoclinic space group P21/c with a=13.8300(4),b=9.5365(2),c=19.0833(5)?,β=103.017(3)o,V=2452.23(11)?3,Z=2,Mr=1237.92,Dc=1.677 g/cm3,F(000)=1232,μ=11.334 mm^–1,GOOF=1.001,the final R=0.0330,and wR=0.0741 for 4627 observed reflections withⅠ>2σ(Ⅰ).The Cu(I)atoms in the complex are four-coordinated with a distorted tetrahedral coordination geometry.The copper centers in the molecular structure are bridged by two iodide anions and each Cu(I)is chelated further terminally by a diimine ligand.The[Cu(μ-I)2 Cu]core is planar.Ⅰn the solid state,the complex exhibits orange photoluminescence with emission peakλmax=568 nm,lifetimeτ=16μs and quantum yieldф=0.22 at room temperature.The studies of varied temperature emission spectra and decay behaviours of the complex indicate that it displays thermally activated delayed fluorescence at room temperature.The results of experimental and DFT calculations suggest that the emission in the solid state originates from the 1,3 MLCT excited states.
