Donor–acceptor optoelectronic molecules based on hexa-peri-hexabenzocoronene and benzothiadiazole units: effect of different combinations

Three donor–acceptor (D–A) conjugated molecules using hexa-peri-hexabenzocoronene (HBC) as D unit while benzo[2,1,3]thiadiazole (BT) as A unit have been synthesized. They have different D–A combination fashions, including D–A, A–D–A and D–A–D. Their thermal, optical, electrochemical properties and molecular interactions have been thoroughly studied, with particular attention paid on the effect of different D–A combinations. Property comparison reveals that the ADA molecule using HBC as core and two BT units as arms possesses a better light absorption property and a more ordered film structure than the other two. Finally, such ADA molecule displayed the best field-effect transistor and photovoltaic performances. [Display omitted]