Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations

Abstract

Tetrathia[22]annulene[2,1,2,1] and its derivatives are p-type organic semiconductors possessing relatively high mobilities in thin film field-effect transistors. To get a full understanding of the relationship between the molecular structures and transporting properties of these macrocyclic molecules, the single crystal structures of three meso-substituted tetrathia[22]annulene[2,1,2,1]s were determined by X-ray diffraction, and the electrical properties were investigated by single crystal transistor characterization and quantum simulations. The observed relationship between the mobilities of different crystals was strongly corroborated by calculations of both the molecular reorganization energies and the maximum intermolecular transfer integrals.