Abstract:Atomic substitution in an organic semiconductor alters the intermolecular and intramolecular interactions in the solid state. Thus, an understanding of such electronic interactions is crucial in designing an efficient molecule. In this study, the effect of the substitution of two hydrogen atoms in the tetracene core to sulfur in benzopyrazine-fused tetracene was investigated via theoretical methods. The reorganization energy and electronic coupling of 5,6-substituted benzopyrazine-fused tetracene and its 5,6,1… Show more
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