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

[Display omitted] ► We use a three-point model to model chiral adsorption. ► The three-point model explains the difficulty in predicting chiral adsorption. ► Conditions leading to predictable enantioselectivity are proposed. The three-point model and molecular simulation are used to understand the e...

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Bibliographic Details
Published inMicroporous and mesoporous materials Vol. 172; pp. 44 - 50
Main Authors Bao, Xiaoying, Snurr, Randall Q., Broadbelt, Linda J.
Format Journal Article
LanguageEnglish
Published San Diego, CA Elsevier Inc 15.05.2013
Elsevier
Subjects
Chemistry
Colloidal state and disperse state
Enantioselectivity
Exact sciences and technology
Four-point model
General and physical chemistry
Homologous chiral compounds
Metal-organic frameworks
Porous materials
Surface physical chemistry
Three-point model
Homologous chiral compounds
Three-point model
Four-point model
Enantioselectivity
Metal-organic frameworks
Metal organic framework
Adsorption
Homologous series
Chiral compound
Models
Porous material
Recognition
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Summary:[Display omitted] ► We use a three-point model to model chiral adsorption. ► The three-point model explains the difficulty in predicting chiral adsorption. ► Conditions leading to predictable enantioselectivity are proposed. 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.
ISSN:1387-1811
1873-3093
DOI:10.1016/j.micromeso.2013.01.014