Molecular recognition of fluoride anion: Benzene-based tripodal imidazolium receptor
SCIE
SCOPUS
- Title
- Molecular recognition of fluoride anion: Benzene-based tripodal imidazolium receptor
- Authors
- Yun, S; Ihm, H; Kim, HG; Lee, CW; Indrajit, B; Oh, KS; Gong, YJ; Lee, JW; Yoon, J; Lee, HC; Kim, KS
- Date Issued
- 2003-03-21
- Publisher
- AMER CHEMICAL SOC
- 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.
- Keywords
- AB-INITIO; HYDROGEN-BONDS; BINDING PROPERTIES; I CLUSTERS; COMPLEXATION; CATION; SPECTRA; SELECTIVITY; SITES; CALIX<4>PYRROLES
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/18631
- DOI
- 10.1021/JO0263519
- ISSN
- 0022-3263
- Article Type
- Article
- Citation
- JOURNAL OF ORGANIC CHEMISTRY, vol. 68, no. 6, page. 2467 - 2470, 2003-03-21
- Files in This Item:
- There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.