Insights into the complexity of chiral recognition by a three-point model

Xiaoying Bao, Randall Q. Snurr*, Linda J. Broadbelt

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

The three-point model and molecular simulation are used to understand the enantioselective adsorption of a homologous series of chiral compounds on a common chiral selector that is incorporated on a solid surface. We demonstrate how the enantioselectivity of homologous chiral compounds may go down, go up, remain the same, or even reverse. Conditions that lead to consistent enantioselectivity for homologous chiral compounds are also proposed.

Original languageEnglish (US)
Pages (from-to)44-50
Number of pages7
JournalMicroporous and Mesoporous Materials
Volume172
DOIs
StatePublished - 2013

Keywords

  • Enantioselectivity
  • Four-point model
  • Homologous chiral compounds
  • Metal-organic frameworks
  • Three-point model

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials

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