Crystal Growth, Structure, and Electronic Band Structure of Tetracene−TCNQ

Abstract

We have grown the charge-transfer salt of the electron acceptor 7,7,8,8-tetracyanoquinodimethane (TCNQ) and the electron donor tetracene using physical vapor transport. The crystal structure was solved by single-crystal X-ray diffraction and the symmetry was found to be triclinic (space group P1̄). The 1:1 complex grows by alternating face to face stacking of tetracene and TCNQ molecules. Calculations on the electronic band structure show that the tetracene−TCNQ complex is an indirect band gap semiconductor and provide insight in the conductive properties of tetracene−TCNQ.