Collective effects of multiple chiral selectors on enantioselective adsorption

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

Molecular simulations were performed to predict the adsorption of racemic mixtures of (R,S)-1,3-dimethylallene (DMA) in three homochiral metal-organic frameworks (HMOFs). All three HMOFs include the same chiral linker, (R)-6,6′-dichloro-2,2′-dihydroxy-1,1′-binaphthyl-4, 4′-bipyridine (L), but have different topologies. While a single linker L shows very little enantioselectivity between the DMA enantiomers, the three HMOFs with closely packed linkers L have enantiomeric excesses of 6%, 28%, and 45%, showing that closely situated chiral selectors function synergistically to enhance the enantioselectivity. Both the confinement created by the linkers and the number of chiral linkers that form the confinement are important in enhancing the enantioselectivity. In addition, the simulations show that the enantioselectivity of the three HMOFs may be further enhanced by modifying the composition of the linker L.

Original languageEnglish (US)
Pages (from-to)10730-10736
Number of pages7
JournalLangmuir
Volume25
Issue number18
DOIs
StatePublished - Sep 15 2009

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry

Fingerprint Dive into the research topics of 'Collective effects of multiple chiral selectors on enantioselective adsorption'. Together they form a unique fingerprint.

Cite this