期刊
JOURNAL OF ORGANIC CHEMISTRY
卷 68, 期 6, 页码 2467-2470出版社
AMER CHEMICAL SOC
DOI: 10.1021/jo0263519
关键词
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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.
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