Semiconductive coordination polymers with continuous π–π interactions and defined crystal structures

Abstract

Two semiconductive coordination polymers based on a chelating redox-active ligand were synthesized and structurally characterized. Strong and continuous intermolecular π–π interactions are likely the reason for moderate electrical conductivity of about 10⁻⁵ S m⁻¹ in these materials. The results of DFT calculations indicate that the continuous π–π stacking structure contributes to the orbital overlap and thus improves charge transport performance.