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Publication Detail
Conformer interconversion in a switchable porous organic cage
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Article
  • Authors:
    Jelfs KE, Schiffmann F, Jones JTA, Slater B, Cora F, Cooper AI
  • Publisher:
    ROYAL SOC CHEMISTRY
  • Publication date:
    2011
  • Pagination:
    20081, 20085
  • Journal:
    PHYS CHEM CHEM PHYS
  • Volume:
    13
  • Issue:
    45
  • Print ISSN:
    1463-9076
  • Language:
    EN
  • Keywords:
    SADDLE-POINTS
  • Addresses:
    Jelfs, KE
    Univ Liverpool
    Dept Chem
    Liverpool
    L69 3BX
    Merseyside
    England

    Univ Liverpool
    Ctr Mat Discovery
    Liverpool
    L69 3BX
    Merseyside
    England
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.
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