Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 13, Issue 45, Pages 20081-20085Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cp22527h
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Funding
- Engineering and Physical Sciences Research Council [EP/H000925/1]
- Royal Society
- EPSRC [EP/F067496/1, EP/H000925/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/F067496/1] Funding Source: researchfish
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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.
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