Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ

A binary (1 : 1) charge transfer cocrystal composed of 1-aminopyrene and 7,7',8,8'-tetracyanoquinodimethane (TCNQ) is expected to possess potentially intriguing n-type semiconductor properties. The cocrystal was characterized by single crystal analysis, electrical conductivity measurements and spectroscopic methods including EPR, IR and UV-vis in the solid state. The supramolecular features and origin of semiconductor nature of the cocrystal were explored by theoretical studies with a special emphasis given on the effect of amino substitution. The estimated degree of charge transfer (-0.24e) in the cocrystal is predictive of its substantial transport ability for electrons under ambient conditions.