Optical and electronic properties of tris[4-(9-phenylfluoren-9-yl)phenyl] amine as light-emitting materials

The structure of tris[4-(9-phenylfluoren-9-yl)phenyl] amine optimized with B3LYP and HF methods.The molecular structure of the singlet excited state was optimized by CIS method.The absorption and emission spectra based on the above structures were obtained by the TD-DFT method and also compared with the experimental data.The results indicate that the electronic excitation leads to the twist angle varieties between the N atom and phenyl in the triphenylamine core.The calculated absorption and emission spectra agree well with the experimental data,which are 324.52 and 379.01 nm,respectively.And the molecule has a long emission lifetime,60.663 7 ns.All the calculated results show that this fluorene-triphenylamine hybrid is promising as useful blue light emitting materials.