Conformer interconversion in a switchable porous organic cage
文献情報
Kim E. Jelfs, Florian Schiffmann, James T. A. Jones, Ben Slater, Furio Cora, Andrew I. Cooper
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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