Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting

Abstract

We report the first study of supramolecular ordering of difuryldiketopyrrolopyrrole (DFDPP), an important building block for semiconducting materials, in 3D crystals and 2D monolayer films. Combined X-ray diffraction (XRD), scanning tunnelling microscopy (STM) and density functional theory (DFT) calculations underline the mutual roles of alkyl chains and pending aryl substituents in molecular planarity and packing.