Optical Properties of DMA-π-DCV Derivatives: A Theoretical Inspection under the DFT Microscope

Figure 1

Frontier molecular orbital (MO) diagram of two representative compounds of the oligoene (oe-n) and oligoyne (oy-n) families. The topology of the frontier MOs is depicted in the case of oy-1. The H stands for HOMO whereas L stands for LUMO.