Helically Twisted Tetracene: Synthesis, Crystal Structure, and Photophysical Properties of Hexabenzo[a,c,fg,j,l,op]tetracene

Abstract

The synthesis, X-ray crystal structure, and photophysical properties of unsubstituted hexabenzo[a,c,fg,j,l,op]tetracene are described. Unlike the previously reported tert-butyl-substituted analogues, unsubstituted hexabenzo[a,c,fg,j,l,op]tetracene showed a helically twisted conformation in the solid state. Density functional theory calculations on the possible conformers were also studied.