Efficient fluoride-selective receptor: experiment and theory |
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Authors: | Xue-Fang Shang Xiu-Fang Xu Hai Lin Jie Shao Hua-Kuan Lin |
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Affiliation: | (1) Department of Chemistry, Nankai University, Tianjin, 300071, P.R. China;(2) State Key Laboratory of Functional Polymer Materials for Absorption and Separation, Nankai University, Tianjin, 300071, P.R. China |
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Abstract: | A novel artificial receptor, (3′-nitrobenzo)[2,3-d]-(3′′-nitrobenzo)[9,10-d]-1,4,8,11-tetraazacyclotetradecane-5,7,12,14-tetraone, has been synthesized and shows high selective and recognitive ability for F- among F−, Cl−, Br−, AcO−, H2PO4− by UV-vis and 1H NMR titration experiments. Theoretical investigations suggest that the fluoride selectivity among various anions comes from the fact that the fluoride approaches much closer to the amide protons than other anions located above the cavity. The interaction energies support the large binding ability difference between F− and Cl−/Br−/AcO−/H2PO4−. |
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Keywords: | Anion recognition Amido Macrocyclic compound |
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