Exploring Semiconductor Property in Charge Transfer Cocrystal of 1-Aminopyrene and TCNQ

Binary (1:1) charge transfer cocrystal composed of 1-aminopyrene and 7,7ʹ,8,8ʹ-tetracyanoquinodimethane (TCNQ) is expected to possess potentially intriguing n-type semiconductor property. The cocrystal was characterized by single crystal analysis, electrical conductivity measurement as well as spectroscopic methods including EPR, IR and UV-Vis in solid state. The supramolecular features and origin of semiconductor nature in the cocrystal were explored by theoretical studies with special emphasis given on the effect of amino substitution. The estimated degree of charge transfer (-0.24 e) in the cocrystal predicts substantial transport ability for electrons at ambient conditions.