Synthesis, Structures, and Optoelectronic Properties of Pyrene-Fused Thioxanthenes

A series of pyrene-fused thioxanthenes have been synthesized via a new concise route, and their crystal structures and photophysical properties have been fully investigated. The eight-ring fused dipyrene–thioxanthene (DPTA) can crystallize to monoclinic and triclinic X-ray structures, and their precursor has been isolated as two stable atropisomers with different photophysical properties. The EHOMO becomes higher and the Eg become narrower as more thioxanthene unit being fused with pyrene.