Dictating Packing and Interactions of Perylene Bisimides within Cyclophane Structures in the Solid State

Crystal packing and chromophore communication are key parameters for the performance functionality of many applications related to light-energy harvesting conversion. However, obtaining crystals flexible very soluble structures is troublesome. Nevertheless, a crystal structure highly perylene-3,4 : 9,10-tetracarboxylic acid bisimide (PBI) cyclophane was obtained analysed compare arrangement in solid state with theconfiguration solution as well calculated structures. The exhibits an intra- intermolecular slip-stack heterochiral PBI units, forming unique one-dimensional π-stacking supramolecular polymer-like structure. These findings emphasize that solid-state chromophores cannot be easily predicted by elaborate studies or theoretical calculations. Furthermore, it features importance controlling enable specific based on multiexciton generation processes where spatial dependence relative orientation decisive parameters.