Highly π-extended polymers based on phenanthro-pyrazine: Synthesis, characterization, theoretical calculation and photovoltaic properties

Two novel narrow bandgap conjugated polymers containing phenanthro-pyrazine unit have been successfully synthesized by the Stille coupling reaction. Comparing to the common polymers containing dithiophen-quinoxaline or dithiophen-thieno[3,4-b]pyrazine moiety, the conjugation degree of these new polymers is extended through the direction perpendicular to the main chain by introducing phenanthrene-9,10-dione to maintain a rigid conjugated bridge. The obtained polymers exhibit solution-processing ability, high thermal stabilities, broad visible absorption bands and narrow optical bandgaps. Theoretical studies disclose that the P2 exhibits wholly coplanar conformation in 1-D and 2-D direction, and the PCE value is 6-folded higher than P1 under the same photovoltaic measurement condition.