Cage Doubling: Solvent-Mediated Re-equilibration of a [3+6] Prismatic Organic Cage to a Large [6+12] Truncated Tetrahedron



Pugh, Chloe J, Santolini, Valentina, Greenaway, Rebecca L, Little, Marc A, Briggs, Michael E, Jelfs, Kim E and Cooper, Andrew I
(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.

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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
Uncontrolled Keywords: 3405 Organic Chemistry, 34 Chemical Sciences
Depositing User: Symplectic Admin
Date Deposited: 10 Apr 2018 12:55
Last Modified: 20 Jun 2024 18:11
DOI: 10.1021/acs.cgd.7b01422
Related URLs:
URI: https://livrepository.liverpool.ac.uk/id/eprint/3019973