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Chirality Discrimination at Binary Organic|Water Interfaces Monitored by Interfacial Tension Measurements with Preliminary Comparison with Molecular Dynamics Simulations |
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| Authors: | Yanqing Yang Dr Xiaoyu Sun Dr Mohammad Reza Poopari Prof Cuiying Jian Prof Hongbo Zeng Prof Tian Tang Prof Yunjie Xu |
| Institution: | 1. Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 Canada
Contributed equally to this work;2. Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9 Canada Contributed equally to this work;3. Department of Chemistry, University of Alberta, Edmonton, Alberta, T6G 2G2 Canada;4. Department of Mechanical Engineering, York University, Toronto, Ontario, M3?J 1P3 Canada;5. Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9 Canada;6. Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9 Canada |
| Abstract: | Chirality discrimination at a binary toluene (organic)/water(aqueous) interface between R- or S-Tol-BINAP (2,2′-Bis(di-p-tolylphosphino)-1,1′-binaphthyl) molecules and the water-soluble serine chiral specie is examined for the first time, using a combination of interfacial tension measurements and molecular dynamic simulations. Experimental interfacial measurements exhibit a clear chirality-controlled difference when a homochiral versus a heterochiral enantiomeric pairs are introduced at the interfaces. The related molecular dynamics simulations support the experimental results and provide further molecular insight of intermolecular interactions at the interfaces. The results indicate that interfacial tension measurements can capture the preferential interactions which exist between different pairs of enantiomers at the binary interfaces, opening up a new way for probing chirality discrimination at liquid-liquid interfaces. |
| Keywords: | organic/water interface chiral discrimination adsorption molecular dynamics molecular modelling |