Synthesis and characterization of new materials with pyrrole units and their semiconductor behavior

摘要

New organic materials with semiconductor behavior were prepared from diphenyldiacetylene and aromatic amines with drawing groups by Reisch-Schulte reaction and characterized by IR, RMN spectroscopy. The obtained materials share the property of having electron withdrawing groups joint to the attached aromatic ring, it seems this feature accounts in large fashion to improve the semiconducting behavior of this kind of substances, this topic was studied by means theoretical calculations and the results are also discussed. The calculations were carried out by means the Gaussian09 software and all the involved species were geometrically optimized.