氟取代基对苯硼酸核磁共振性质的影响。
Influence of fluorine substituents on the NMR properties of phenylboronic acids.
作者信息
Gierczyk Błażej, Kaźmierczak Marcin, Popenda Łukasz, Sporzyński Andrzej, Schroeder Grzegorz, Jurga Stefan
机构信息
Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, 61-614, Poznań, Poland.
出版信息
Magn Reson Chem. 2014 May;52(5):202-13. doi: 10.1002/mrc.4051. Epub 2014 Feb 11.
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.
本文介绍了对氟化苯硼酸进行的系统核磁共振研究结果。研究了所有可能的衍生物。将实验测得的¹H、¹³C、¹⁹F、¹¹B和¹⁷O光谱数据与理论计算结果进行了比较。讨论了计算得到的自然键轨道参数与光谱数据（化学位移和耦合常数）之间的关系。报道了¹⁰B/¹¹B同位素效应在有机化合物¹⁹F光谱和⁴JFO标量耦合方面的首个实例。
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