| Literature DB >> 24519471 |
Błażej Gierczyk1, Marcin Kaźmierczak, Łukasz Popenda, Andrzej Sporzyński, Grzegorz Schroeder, Stefan Jurga.
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.Entities:
Keywords: DFT calculation; NMR; arylboronic acid; spectroscopy
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Year: 2014 PMID： 24519471 DOI： 10.1002/mrc.4051
Source DB: PubMed Journal: Magn Reson Chem ISSN： 0749-1581 Impact factor: 2.447