Blue to red electroluminescence emission from organic light-emitting diodes based on π-conjugated organic semiconductor materials

Blue to red organic light-emitting diodes based on a series of newly synthesized distyrylbenzenes have been demonstrated. Their optical properties have been theoretically and experimentally studied in order to inquire into the substitution effects (such as electron-donating, electron-withdrawing, and steric hindrance) on the emission color. Density functional theory at B3LYP/6-311+G(d) level of calculation was employed to obtain the molecular structures and highest occupied molecular orbital and lowest unoccupied molecular orbital surfaces. Electroluminescence emission range of compounds could be tuned by changing the strength of the acceptor component and using push–pull and nonplanarity effects from 483 (blue) to 600 (red) nm.