Pugh, Chloe J, Santolini, Valentina, Greenaway, Rebecca L ORCID: 0000-0003-1541-4399, Little, Marc A, Briggs, Michael E
ORCID: 0000-0003-1474-1267, Jelfs, Kim E and Cooper, Andrew I
ORCID: 0000-0003-0201-1021
(2018)
Cage Doubling: Solvent-Mediated Re-equilibration of a [3+6] Prismatic Organic Cage to a Large [6+12] Truncated Tetrahedron.
CRYSTAL GROWTH & DESIGN, 18 (5).
pp. 2759-2764.
ISSN 1528-7483, 1528-7505
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Abstract
We show that a [3 + 6] trigonal prismatic imine (a) cage can rearrange stoichiometrically and structurally to form a [6 + 12] cage (b) with a truncated tetrahedral shape. Molecular simulations rationalize why this rearrangement was only observed for the prismatic [3 + 6] cage TCC1 but not for the analogous [3 + 6] cages, TCC2 and TCC3. Solvent was found to be a dominant factor in driving this rearrangement.
Item Type: | Article |
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Uncontrolled Keywords: | 3405 Organic Chemistry, 34 Chemical Sciences |
Depositing User: | Symplectic Admin |
Date Deposited: | 10 Apr 2018 12:55 |
Last Modified: | 07 Dec 2024 20:57 |
DOI: | 10.1021/acs.cgd.7b01422 |
Related URLs: | |
URI: | https://livrepository.liverpool.ac.uk/id/eprint/3019973 |