Solution structure of zinc-seamed C-alkylpyrogallol[4]arene dimeric nanocapsules

Abstract

The structural stability and solution geometry of zinc-seamed-C-propylpyrogallol[4]arene dimers has been studied in solution using in situ neutron scattering and 2D-DOSY NMR methods. In comparison with the structures of the analogous copper-/nickel-seamed dimeric entities, the spherical geometry of the PgC₃Zn species (R = 9.4 Å; diffusion coefficient = 1.05 × 10⁻¹⁰ m² s⁻¹) is larger due to the presence of ligands at the periphery in solution. This enhanced radius in solution due to ligation is also consistent with the findings of model molecular dynamics simulations of the zinc-seamed dimers.