Semiconductor behavior of 2,5-aromatic disubstituted pyrroles, viewed from an experimental and theoretical perspective

Theoretical calculations were performed on 2,5-aromatic substituted pyrroles which have a nitro-benzene or a cyano-benzene link to the nitrogen atom of the pyrrole fragment. The molecules manifested interesting semiconductor behavior that was confirmed when thin films were prepared and their corresponding electrical characterization was undertaken. The reason for this behavior is discussed, with reference to the electron-withdrawing feature of the substituents in the benzene chain.