Organic pollutants in water-soluble cavitands and capsules: contortions of molecules in nanospace

Abstract

We report on the binding properties of deep cavitand for various industrial pollutants in water. Depending on the guest type, monomeric cavitands, dimeric capsules or both acted as receptors and...

Role of Rim Functions in Recognition and Selectivity of Small‐Molecule Guests in Water‐Soluble Cavitand Hosts

“…As expected, the guests’ methylene groups distant from the hydrophilic part are experiencing the strongest shielding effect from the aromatic walls at the bottom of cavity (Δδ −4.74 ppm), while the hydrophilic part are close to the hydrogen bonding region (at the open end or upper rim) of the cavitand [19] . This is similar to binding of tetrahydropyrane in cavitand 2 (Δδ −4.68 ppm) [20] …”

“…[19] This is similar to binding of tetrahydropyrane in cavitand 2 (Δδ À 4.68 ppm). [20] Straight-chain n-alkanes in 1 show signal patterns indicating that all n-alkanes (C5 to C13) tumble "end over end" rapidly, whereas larger alkanes C13 and C14 begin to induce capsule formation (Figure 3a). [21] The calculated Δδ's of bound n-alkanes (n C = 5-11) are shown in Table S1, and are in good agreement with rapid tumbling in a cavitand.…”