Substituent Effects on 13C NMR and 1H NMR Chemical Shifts of CH=N in Multi-substituted Benzylideneanilines  

取代基对多取代氮苄叉苯胺化合物分子桥键（CH=N）的13CNMR和1H NMR的影响（英文）

作　　者：曹朝暾[1] 王琳艳 曹晨忠[1] 

机构地区：[1]湖南科技大学化学化工学院、理论有机化学与功能分子教育部重点实验室、分子构效关系湖南省普通高校重点实验室,湘潭411201 [2]湖南科技大学材料科学与工程学院,湘潭411201

出　　处：《Chinese Journal of Chemical Physics》2018年第1期45-51,I0001,共8页化学物理学报（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21672058 and No.21272063)

摘　　要：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.

关 键 词：Multi-substituted benzylideneanilines Substituent effects 1H NMR chemicalshifts 13C NMR chemical shifts Substituent specific cross-interaction effect 

分 类 号：O621.1[理学—有机化学]