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Benzodithiophene (BDT)-based star-shaped molecule (12TBDT) was synthesized by Stille coupling reactions. The star-shaped molecule shows high decomposition temperature (447 °C), low-lying HOMO level (-5.52 eV), and wide UV-vis absorption between 300 and 530 nm (Eg = 2.36 eV). DFT results show that the electron density of the HOMO and LUMO are localized on the thiophene and BDT groups. To the best of our knowledge, this is one of the earliest reports on star-shaped benzodithiophene molecules. [ABSTRACT FROM AUTHOR]

One A-π-A-π-A small molecule [I(TPTA)2], containing two planar acceptor units, isoindigo, and 2,4,6-triphenyl-1,3,5-triazine (TPTA) with thiophene as bridge, was synthesized by the Suzuki coupling reaction. The obtained molecule exhibits panchromatic absorption between 300 and 720nm with a large half band width up to 350nm in thin solid film. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of [I(TPTA)2] are -5.50 and -3.82 eV. Density functional theory (DFT) calculations indicated that the structure of [I(TPTA)2] is quite planar and that the electron density is mainly delocalized over the central isoindigo and thiophene units. [ABSTRACT FROM AUTHOR]