| Sumario: | The article validates using first principle calculations that a tristable [2]- catenane with tetrathiafulvalene and 1,5-dioxynaphthalene units for green and red colors, respectively, as well as a third donor unit, namely a substituted benzidine suitable for generating a blue color, could be the pixel-layer component for the implementation of an electronic paper display. It also proposes a mechanism of switching in the tristable [2]catenane working under different voltages. It determines an empirical scaling factor to correct the band gap calculated from density functional theory by comparing calculated with available experimental values and then uses this factor to predict the unknown absorption maxima.
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