Tuning the Energy Level and Photophysical and Electroluminescent Properties of Heavy Metal Complexes by Controlling the Ligation of the Metal with the Carbon of the Carbazole Unit


  • This work was supported by the National Natural Science Foundation of China (Project Nos. 20371036 and 20474047), the Program for New Century Excellent Talents in University, the Ministry of Education of China, the Ministry of Science and Technology of China through the 973 program (Grant No. 2002CB613406).


Four novel IrIII and PtII complexes with cyclometalated ligands bearing a carbazole framework are prepared and characterized by elemental analysis, NMR spectroscopy, and mass spectrometry. Single-crystal X-ray diffraction studies of complexes 1, 3, and 4 reveal that the 3- or 2-position C atom of the carbazole unit coordinates to the metal center. The difference in the ligation position results in significant shifts in the emission spectra with the changes in wavelength being 84 nm for the Ir complexes and 63 nm for the Pt complexes. The electrochemical behavior and photophysical properties of the complexes are investigated, and correlate well with the results of density functional theory (DFT) calculations. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ3/LiF/Al can attain very high efficiencies.