Developing effective and low‐cost organic semiconductors is an opportunity for the development of organic solar cells (OPV). Herein, we report the molecular design, synthesis and characterization of two molecules with D–A–D–A configuration: 2-cyano-3-(5-(8-(3,4-ethylenodioxythiophen-5-yl)-2,3-diphenylquinoxalin-5-yl)thiophen-2-yl)acrylic acid (6) and 2-cyano-3-(5-(2,3-diphenyl-8-(thiophen-2-yl)quinoxalin-5-yl)thiophen-2-yl)acrylic acid (7). Moreover, we investigated the structural, theoretical and optical properties. The distribution of HOMO/LUMO orbitals and the values of the ionization potential indicate good semiconducting properties of the compounds and that they can be a bipolar material. Also, the optical study show good absorption in visible light (λ_abs 380–550 nm). We investigate the theoretical optoelectronic properties of obtained compounds as potential materials for solar cells.

开发高效且低成本的有机半导体是有机太阳能电池（OPV）发展的契机。在此，我们报告了具有 D-A-D-A 构型的两个分子的分子设计、合成和表征：2-氰基-3-(5-(8-(3,4-乙撑二氧噻吩-5-yl)-2， 3-二苯基喹喔啉-5-基)噻吩-2-基)丙烯酸( 6 )和2-氰基-3-(5-(2,3-二苯基-8-(噻吩-2-基)喹喔啉-5-基) )噻吩-2-基)丙烯酸( 7 )。此外，我们研究了结构、理论和光学特性。HOMO/LUMO 轨道的分布和电离电位的值表明化合物具有良好的半导体特性，并且它们可以是双极材料。此外，光学研究表明在可见光（λ_绝对380–550 纳米）。我们研究了所得化合物作为太阳能电池潜在材料的理论光电特性。