title: Molecular recognition of a fluoride anion receptor: the importance of C-H (N-H)F(-) and "electropositive field space"F(-) interactions.
abstract: Host molecules effectively prefer to recognize F- ion rather than H2O through the upper rim, utilizing strong C-H (N-H)F- interactions. The electropositive field space ("electropositive field space") at the lower rim of the host molecules can also act as a good binding site for small anions such as F-. The electron withdrawing substituent at the para-position (X) makes the C(N)-HaF- and C(N)-HaO interactions much enhanced. The calculated vibrational frequencies and NMR chemical shifts are consistent with experimental trends.
authors.affiliation: Department of Chemistry, SungKyunKwan University, Suwon, 440746, Korea.
authors.forename: Shihai
authors.initials: S
authors.lastname: Yan
authors.forename: Seung
authors.initials: S
authors.lastname: Joo Cho
authors.forename: Sang
authors.initials: S
authors.lastname: Joo Lee
authors.forename: Sunwoo
authors.initials: S
authors.lastname: Kang
authors.forename: Kyungsoo
authors.initials: K
authors.lastname: Paek
authors.forename: Jin
authors.initials: J
authors.lastname: Yong Lee