Journal of Polymer Science Part A: Polymer Chemistry, Vol.49, No.19, 4172-4179, 2011
Synthesis, Characterization, and Computational Modeling of Benzodithiophene Donor-Acceptor Semiconducting Polymers
Donor-acceptor semiconducting polymers containing benzodithiophene with decyl phenylethynyl substituents have been synthesized. Density functional calculations on the polymers' band gaps and frontier orbitals energies provide reasonable agreement with cyclic voltammetry, photoelectron spectroscopy, and UV-vis absorption measurements. (C) 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 49: 4172-4179, 2011
Keywords:benzodithiophene;calculations;conjugated polymers;density functional theory;donor-acceptor polymer;semiconducting polymers;UV-vis spectroscopy