Study on the electronic structure of phenylene vinylene dimers with different substituents

The effect of the molecular structures of a series of π-conjugated rigid rod oligomers in phenylene vinylene dimers on electronic structures has been investigated by utilizing electrochemistry and spectroscopy along with quantum chemical calculations. The redox potential of oligomers varies with different substituents. The ionization potential changes from 5.49 to 4.92 eV, and the electron affinity from 2.59 to 2.29 eV, indicating that the substituents could considerably alter both the HOMO and LUMO levels.