Interchain interactions in #pi#-conjugated oligomers and polymers: a primer

摘要

In this contribution, we review our recent quantum-chemical studies on intermolecular interactions and the way they impact transport and optical properties of organic conjugated materials When applied to the crystalline structures of two prototypical oligomeric materials, #alpha#-sexithienyl and #alpha#-#alpha#'-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.