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Updated: Jun 27, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Molecular recognition of a fluoride anion receptor: the importance of C-H (N-H)F(-) and "electropositive field
Shihai Yan1, Seung Joo Cho, Sang Joo Lee
1Department of Chemistry, SungKyunKwan University, Suwon, 440746, Korea.
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.
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