Solution Structure of Zinc-Seamed C-alkylpyrogallolarene Dimeric Nanocapsules
Harshita Kumari, Wei G. Wycoff, Collin M. Mayhan, Steven R. Kline, Joshua R. So, Carol A. Deakyne, John E. Adams, Jerry L. Atwood
The structural stability and solution geometry of zinc-seamed C-propylpyrogallolarene dimers with ligands has been studied in solution using in situ neutron scattering and 2D-DOSY NMR 15 methods. In comparison with the structures of the analogous copper- or nickel-seamed dimeric entities, the spherical geometry of the PgC3Zn species (R=9.4 angstrom}; diffusion coefficient=1.05x10-10 m2/sec) is larger due to the presence of ligands at the periphery in solution. This enhanced radius in 20 solution due to ligation is also consistent with the findings of model molecular dynamics simulations of the zinc-seamed dimers.
, Wycoff, W.
, Mayhan, C.
, Kline, S.
, So, J.
, Deakyne, C.
, Adams, J.
and Atwood, J.
Solution Structure of Zinc-Seamed C-alkylpyrogallolarene Dimeric Nanocapsules, RSC Advances
(Accessed September 27, 2023)