title: Tuning the HOMO-LUMO gap of pyrene effectively via donor-acceptor substitution: positions 4,5 versus 9,10.
abstract: Donor and acceptor substituents were introduced at pyrene's K-regions in order to engineer its optoelectronic properties. A study of the influence of the substitution pattern on the frontier orbitals as well as on the molecular packing is provided. A comparison with the pure donor and acceptor substituted pyrene derivatives highlights the strong impact of the presented donor-acceptor substitution.
authors: Max Planck Institut for Polymer Research  Ackermannweg 10, 55128 Mainz, Germany.
authors: Lukas
authors: L
authors: Zöphel
authors: Volker
authors: V
authors: Enkelmann
authors: Klaus
authors: K
authors: Müllen