Figure 5

(A) The proposed monomer structures of EDOT-(Ber+)-EDOT when Ber+ and EDOT reacted in 1:2 molar ratio. (B) Simulated absorption spectra of three possible (EDOT-Ber+-EDOT) monomers. Model chemistry B3LYP/6-31G(d) was used with vacuum (dash line) and acetonitrile (solid line) solvent models.