Molecular recognition of fluoride anion: benzene-based tripodal imidazolium receptor |
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| Authors: | Yun Sunggoo Ihm Hyejae Kim Heon Gon Lee Chi-Wan Indrajit Bandyopadhyay Oh Kyung Seok Gong Young Jun Lee Jung Woo Yoon Juyoung Lee Hee Cheon Kim Kwang S |
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| Institution: | National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Division of Molecular and Life Sciences, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea. |
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| Abstract: | A benzene-based tripodal imidazolium receptor utilizing the strong (C-H)(+)...X(-) hydrogen bonding interaction between imidazolium moieties and halide anions is extensively investigated both theoretically and experimentally. Ab initio calculations predict that this receptor has a very high affinity for fluoride ion (F(-)). The association constant and free energy gain of the N-butyl receptor 2 for F(-) in acetonitrile were measured to be 2.1 x 10(5) M(-1) and -7.25 kcal/mol, respectively, showing that the receptor has a high affinity for F(-) in highly polar organic solvents. |
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