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

• Published in: Microporous and mesoporous materials Vol. 172; pp. 44 - 50
• Main Authors: Bao, Xiaoying, Snurr, Randall Q., Broadbelt, Linda J.
• Format: Journal Article
• Language: English
• 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

[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...