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Conformer interconversion in a switchable porous organic cage

Jelfs, KE; Schiffmann, F; Jones, JTA; Slater, B; Cora, F; Cooper, AI; (2011) Conformer interconversion in a switchable porous organic cage. PHYS CHEM CHEM PHYS , 13 (45) 20081 - 20085. 10.1039/c1cp22527h.

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Abstract

Porous organic cage crystals can show unique properties, such as switching from being porous to non-porous in the solid state. Conformer interconversion plays a crucial role in this for the imine cage molecule, CC1. The barriers to interconversion were calculated and found to match experimentally determined values. Calculations suggest that solvent interactions reduce these activation barriers.

Type: Article
Title: Conformer interconversion in a switchable porous organic cage
DOI: 10.1039/c1cp22527h
Keywords: SADDLE-POINTS
URI: http://discovery.ucl.ac.uk/id/eprint/1332586
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