Blue light emitting materials for organic light emitting diodes: Experimental and simulation study

Novel blue light-emitting materials were designed by the substitution at the 4-position of 1,8-naphthalimide with electron-donating phenoxy group. The effect of molecular structure on the photophysical, electronic structure properties of the derivatives was explored by UV-visible absorption spectroscopy, photoluminescence spectroscopy, cyclic voltammetry and quantum chemical calculations. Both UV-visible absorption and emission spectra of derivatives indicate that the emission is in blue region. Electrochemical studies of the molecules revealed that they have low-lying energy levels of the lowest unoccupied molecular orbital (LUMO) and energy levels of the highest occupied molecular orbital (HOMO) indicating that the derivatives possess good electron-transporting or hole-blocking properties. To further reveal the electronic structure and the optical properties, the structural and electronic properties of the synthesized derivatives were calculated. These results indicate that molecules may offer potential as dopants as well as non-doping light-emitting materials with good electron injection capabilities for fabrication of blue organic light-emitting diodes.