Figure shows the UV-Vis absorption and emission spectra calculated for DCTC -(top) and TCNQ (bottom) in aqueous THF. The emission spectrum has been calculated for the lowest excitation energy corresponding to a transition between HOMO and LUMO. The HOMO and LUMO of DCTC -and TCNQ are visualized in panels f and h, respectively. Although the computed absorption peaks are blue shifted as compared with the experimentally observed peaks, both spectra for the TCNQ and DCTC -reproduce main features observed in the experimental spectra as follows. The computed spectrum for the TCNQ exhibits the single peak at about 377 nm. The computed spectrum for the DCTC -exhibits the strongest peak at 408 nm and the weak peak at 263 nm. The major absorption edge for the TCNQ is lower than that for the DCTC -.