Solution Structure of Zinc-Seamed C-alkylpyrogallol[4]arene Dimeric Nanocapsules

Published

January 15, 2021

Author(s)

Harshita Kumari, Wei G. Wycoff, Collin M. Mayhan, Steven R. Kline, Joshua R. So, Carol A. Deakyne, John E. Adams, Jerry L. Atwood

Abstract

The structural stability and solution geometry of zinc-seamed C-propylpyrogallol[4]arene 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.

Citation

RSC Advances

Volume

11

Issue

6

Pub Type

Journals

Keywords

small-angle neutron scattering, nanocapsules

Citation

Kumari, H. , Wycoff, W. , Mayhan, C. , Kline, S. , So, J. , Deakyne, C. , Adams, J. and Atwood, J. (2021), Solution Structure of Zinc-Seamed C-alkylpyrogallol[4]arene Dimeric Nanocapsules, RSC Advances (Accessed October 16, 2025)