We report theoretical studies on the optoelectronic structural properties of four Thienothiophene (T) conjugated π conjugates. The geometries, the prediction of the optoelectronic structural properties of the four compounds are studied by calculations of Density Functional Theory (DFT). The absorption properties (λmax, Etr, f) of molecules are gained by the (DFT) B3LYP/6-31G (d) ZINDO method, so that the Highest Occupied Molecular Orbitals (HOMO), the Lowest Unoccupied Molecular Orbitals (LUMO), the energy deficit being calculated using the factor Gaussian. 09 and its Gauss View 5.0.8 graphical interface.
