Figure 1: Structures of donor (red)–acceptor (blue) functionalized molecular wires.

The molecules are based on a central oligo(phenyleneethynylene) (OPE3) core with acetyl (Ac) protected thiolate end groups for electrode anchoring. Dithiafulvene (DTF) is used as the donor unit. Protonation of 1 should promote the cross-conjugated and quinoid resonance form (1·H+). Linearly and cross-conjugated resonance forms are shown for molecule 2. Pr, propyl.