Synthesis and Theoretical Investigation Using DFT of 2,3-Diphenylquinoxaline Derivatives for Electronic and Photovoltaic Effects

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