| Literature DB >> 22002581 |
Kim E Jelfs1, Florian Schiffmann, James T A Jones, Ben Slater, Furio Cora, Andrew I Cooper.
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.Entities:
Year: 2011 PMID： 22002581 DOI： 10.1039/c1cp22527h
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN： 1463-9076 Impact factor: 3.676