Molecular recognition of a fluoride anion receptor: the importance of C-H (N-H)center dot center dot center dot F- and "electropositive field space"center dot center dot center dot F- interactions
- Authors
- Yan, Shihai; Cho, Seung Joo; Lee, Sang Joo; Kang, Sunwoo; Paek, Kyungsoo; Lee, Jin Yong
- Issue Date
- 2008
- Publisher
- ROYAL SOC CHEMISTRY
- Citation
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.10, no.47, pp.7079 - 7084
- Journal Title
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Volume
- 10
- Number
- 47
- Start Page
- 7079
- End Page
- 7084
- URI
- http://scholarworks.bwise.kr/ssu/handle/2018.sw.ssu/17708
- DOI
- 10.1039/b805821k
- ISSN
- 1463-9076
- Abstract
- Host molecules effectively prefer to recognize F- ion rather than H2O through the upper rim, utilizing strong C-H (N-H)center dot center dot center dot 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)-H-a center dot center dot center dot F- and C(N)-H-a center dot center dot center dot O interactions much enhanced. The calculated vibrational frequencies and NMR chemical shifts are consistent with experimental trends.
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Collections - College of Natural Sciences > Department of Chemistry > 1. Journal Articles
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