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

Figure 5

Convoluted absorption spectra in the region of the lowest-lying CT electronic transition calculated at the PBE0/6-31 level using PCM and a variety of solvents for the oy-3 chromophore. A full width at half maximum of 0.20 eV was used in the Gaussian functions for the convolution.