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Influence of fluorine substituents on the NMR properties of phenylboronic acids
Author(s) -
Gierczyk Błażej,
Kaźmierczak Marcin,
Popenda Łukasz,
Sporzyński Andrzej,
Schroeder Grzegorz,
Jurga Stefan
Publication year - 2014
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4051
Subject(s) - chemistry , chemical shift , phenylboronic acid , coupling constant , carbon 13 nmr , computational chemistry , fluorine 19 nmr , fluorine , spectral line , nmr spectra database , carbon 13 nmr satellite , nuclear magnetic resonance spectroscopy , organic chemistry , particle physics , astronomy , catalysis , physics
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 J FO scalar coupling in organic compounds are reported. Copyright © 2014 John Wiley & Sons, Ltd.