While both models seem suited to describe the adsorption in this binary system, the high correlation with the Langmuir model might indicate that adsorption mainly occurs as a monolayer. The favorable adsorption is presumably driven by attractive intermolecular interactions between adsorbent and adsorbate, e.g., hydrophobic interactions induced by the fluorocarbon interface of the ordered BODIPY stacks, π-π stacking interactions, and hydrogen bonding. Calculations with the Adsorption Locator module of the Materials Studio software identified the most favorable adsorption sites for BPA within the BDP-TFP-COF pores. Apparently, the good match between the angular geometry of BPA and the hexagonal pores facilitates face-to-face π⋅⋅⋅π stacking interactions with the phenyl groups of the BODIPY moieties in 2.9-3.6 Å distance (Figure ).