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Exploring the Ellipsoidal and Core-Shell Geometries of Copper-Seamed C-alkylpyrogallol[4]arene Nanocapsules in Solution

Published

Author(s)

Harshita Kumari, Steven R. Kline, Nathaniel J. Schuster, Charles L. Barnes, Jerry L. Atwood

Abstract

Small-angle neutron scattering (SANS) studies were used to probe the stability and geometry of copper-seamed Calkylpyrogallol[ 4]arene (PgCnCu; n = 11, 13, 17) hexamers in solution. Novel structural features are observed at chain lengths greater than 10 in both solid and solution phase. Scattering data for the PgC11Cu and PgC13Cu in chloroform fitted as core-shell spheres with total spherical radius of about 22.7 Å and 22.9 Å respectively. On the other hand, the scattering curve for PgC17Cu hexamer at both 1% and 5% mass fraction in o-xylene did not fit as a discrete sphere but rather as a uniform ellipsoid. The geometric dimensions of the ellipsoid radii are 24 Å along the minor axis and 115 Å along the major axis. It is expected that an individual hexamer with heptadecyl chains would exhibit a uniform radius of ca. 24 Å. However, an approximate ratio of 1:5 between radii lengths for the minor axis and major axis is consistent with interpenetration of the heptadceyl chains of adjacent hexamers to form a single ellipsoidal assembly.
Citation
Journal of the American Chemical Society
Volume
133

Keywords

molecular capsules, small-angle neutron scattering, metal-organic nanocapsules

Citation

Kumari, H. , Kline, S. , Schuster, N. , Barnes, C. and Atwood, J. (2011), Exploring the Ellipsoidal and Core-Shell Geometries of Copper-Seamed C-alkylpyrogallol[4]arene Nanocapsules in Solution, Journal of the American Chemical Society, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=909595 (Accessed May 19, 2024)

Issues

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Created October 2, 2011, Updated October 12, 2021