eV. The HOMO is destabilized while the LUMO is of similar energy to those of DiKTa (-6.12 eV/-3.00 eV), reflecting the predictions from DFT. The UV-vis absorption spectrum of DDiKTa-A in dilute toluene solution (10 -5 M) at room temperature is shown in Figure . There are three identifiable absorption bands with peaks of 323, 397 and 473 nm, which generally match with the simulated absorption spectra (Figure ). The two intense, higher energy bands (ε of 3.0×10 4 and 1.6×10 4 M -1 cm -1 , respectively) are associated, respectively, with p-p * transitions across the DiKTa backbone (labs = 334 nm, ε = 3.5×10 3 M -1 cm -1 ) 21 and the whole skeleton, based on an analysis of the TDA-DFT calculations (Figure ).