title: Influence of fluorine substituents on the NMR properties of phenylboronic acids.
abstract: The paper presents results of a systematic NMR studies on fluorinated phenylboronic acids. All possible derivatives were studied. The experimental (1)H, (13)C, (19)F, (11)B, and (17)O spectral data were compared with the results of theoretical calculations. The relation between the calculated natural bond orbital parameters and spectral data (chemical shifts and coupling constants) is discussed. The first examples of (10)B/(11)B isotopic effect on the (19)F spectra and (4)JFO scalar coupling in organic compounds are reported.
authors: Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, 61-614, Poznań, Poland.
authors: Błażej
authors: B
authors: Gierczyk
authors: Marcin
authors: M
authors: Kaźmierczak
authors: Łukasz
authors: Ł
authors: Popenda
authors: Andrzej
authors: A
authors: Sporzyński
authors: Grzegorz
authors: G
authors: Schroeder
authors: Stefan
authors: S
authors: Jurga
mesh_terms: D001897:Boronic Acids / Q000737:chemistry*; D006845:Hydrocarbons, Fluorinated / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D011789:Quantum Theory; D012015:Reference Standards
chemical_list: D001897:Boronic Acids; D006845:Hydrocarbons, Fluorinated; C010686:benzeneboronic acid
keywords: DFT calculation; NMR; arylboronic acid; spectroscopy