Interchain interactions in π-conjugated oligomers and polymers: A primer

In this contribution, we review our recent quantum-chemical studies on intermolecular interactions and the way they impact the transport and optical properties of organic conjugated materials. When applied to the crystalline structures of two prototypical oligomeric materials, α-sexithienyl and α-α′-bisdithieno[3,2-b:2′,3′-d]thiophene, our approach illustrates how the variations in chain packing lead to dramatically different optical splittings and carrier mobilities. Various strategies to prevent solid-state luminescence quenching in light-emitting devices are proposed.