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Substituent Effects on 13C NMR and 1H NMR Chemical Shifts of CH=N in Multi-substituted Benzylideneanilines
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作者 曹朝暾 王琳艳 曹晨忠 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2018年第1期45-51,I0001,共8页
Fifty-three samples of multi-substituted benzylideneanilines XArCH=NArYs (abbreviated XBAYs) were synthesized and their NMR spectra were determined. An extensional study of substituent effects on the 1H NMR chemical... Fifty-three samples of multi-substituted benzylideneanilines XArCH=NArYs (abbreviated XBAYs) were synthesized and their NMR spectra were determined. An extensional study of substituent effects on the 1H NMR chemical shifts (δH(CH=N)) and 13C NMR chemical shifts (δc(CH=N)) of the CH=N bridging group from di-substituted to multi-substituted XBAYs was made based on a total of 182 samples of XBAYs, together with the NMR data of other 129 samples of di-substituted XBAYs quoted from literatures. The results show thatthe substituent specific cross-interaction effect parameter (△(∑σ)2) plays an important role in quantifying the δc(CH=N) values of XBAYs, but it is negligible for quantifying the δH (CH=N) values; the other substituent parameters also present different influences on the δc (CH=N) and (δH (CH=N). On the whole, the contributions of X and Y to the δc (CH=N) of XBAYs are balanced, but the δH(CH=N) values of XBAYs mainly rely on the contributions of X. 展开更多
关键词 Multi-substituted benzylideneanilines Substituent effects 1H NMR chemicalshifts 13C NMR chemical shifts Substituent specific cross-interaction effect
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