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Selective Inclusion of Fluoride within the Cavity of a Two-Wall Bis-calix[4]pyrrole
Shenglun Xiong1, Fangyuan Chen2,3, Tian Zhao2
1State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, P.R. China.
Abstract:
We report what to our knowledge is the smallest bis-calix[4]pyrrole (2). It proved capable of trapping fluoride anions exclusively relative to other anions (Cl-, Br-, SCN-, NO3-, H2PO4-, HSO4-, SO42-, and HP2O73-; tetrabutylammonium salts), as confirmed by 1H NMR spectroscopy (CDCl3), X-ray diffraction analysis, DFT calculations, and molecular dynamics simulations. The F- selectivity is ascribed to the small size of the cavity in 2.
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