The Proton Chemical Shift of Styrene

Matsuoka Shin-ichi, Hattori Shuzo, Yonezawa Teijiro, Yamabe Hiroko, Fukui Kenichi

doi:10.1143/jpsj.20.1212

The Proton Chemical Shift of Styrene

DOI Web Site BIBCODE 参考文献18件

Matsuoka Shin-ichi

Faculty of Science, Kanazawa University
Hattori Shuzo

Faculty of Engineering, Nagoya University
Yonezawa Teijiro

Faculty of Engineering, Kyoto University
Yamabe Hiroko

Faculty of Engineering, Kyoto University
Fukui Kenichi

Faculty of Engineering, Kyoto University

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説明

Proton chemical shifts in nuclear magnetic resonance spectra of styrene were semi-empirically evaluated by considering the following effects: (i) The π-ring current effect, (ii) the magnetic anisotropy effect of neighboring carbon atoms, (iii) the local diamagnetic shielding of the hydrogen atom, and (iv) the partial ring current effect.<BR>Calculated values are −0.40 ppm and −0.82 ppm for β- and α-protons, respectively, referred to the proton trans to the phenyl group and the observed values are −0.50 ppm and −1.50 ppm, respectively.