title: Molecular recognition of fluoride anion: benzene-based tripodal imidazolium receptor.
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.
authors.affiliation: 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.
authors.forename: Sunggoo
authors.initials: S
authors.lastname: Yun
authors.forename: Hyejae
authors.initials: H
authors.lastname: Ihm
authors.forename: Heon Gon
authors.initials: HG
authors.lastname: Kim
authors.forename: Chi-Wan
authors.initials: CW
authors.lastname: Lee
authors.forename: Bandyopadhyay
authors.initials: B
authors.lastname: Indrajit
authors.forename: Kyung Seok
authors.initials: KS
authors.lastname: Oh
authors.forename: Young Jun
authors.initials: YJ
authors.lastname: Gong
authors.forename: Jung Woo
authors.initials: JW
authors.lastname: Lee
authors.forename: Juyoung
authors.initials: J
authors.lastname: Yoon
authors.forename: Hee Cheon
authors.initials: HC
authors.lastname: Lee
authors.forename: Kwang S
authors.initials: KS
authors.lastname: Kim