Crystal growth, structure, and electronic band structure of tetracene-TCNQ

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 singlecrystal X-ray diffraction and the symmetry was found to be triclinic (space group PT). 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.