LAUSR

Abstract In this study, we report the synthesis of dithieno [2,3-d:2′,3′-d']anthra [1,2-b:5,6-b']dithiophene (DTADT) unit and donor-acceptor (D-A) conjugated copolymers incorporated with the DTADT unit as the repeating unit. The novel oligoheteroacene unit––DTADT––was synthesized through the [2 + 2+2] annulation, which is the key reaction, and its reaction pathway was theoretically revealed using the density functional theory calculation. The D-A conjugated copolymers, synthesized through the transition metal-catalyzed polycondensation, could be applied as a solution-processable thin-film transistor. The our own n-layered integrated molecular orbital and molecular mechanics calculation in conjunction with the second order perturbation theory, analyzed based on the natural bond orbital analysis, unveiled that the steric repulsion among the side chains of DTADT and thiophene spacer kept away from the planarization of polymers; this affected the hole mobility of organic field-effect transistor.