| 取代基对多取代氮苄叉苯胺化合物分子桥键（CH=N）的13C NMR和1H NMR的影响 |
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| 引用本文： | 曹朝暾,王琳艳,曹晨忠.取代基对多取代氮苄叉苯胺化合物分子桥键（CH=N）的13C NMR和1H NMR的影响[J].化学物理学报,2018,31(1):45-51. |
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| 作者姓名： | 曹朝暾 王琳艳 曹晨忠 |
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| 作者单位： | 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,湖南科技大学材料科学与工程学院, 湘潭 411201,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 |
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| 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 that the substituent specific cross-interaction effect parameter (Δ(Σσ)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.
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| 收稿时间： | 2017/4/20 0:00:00 |
Substituent E ects on 13C NMR and 1H NMR Chemical Shifts of CH=N in Multi-substituted Benzylideneanilines |
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| Chao-tun Cao,Lin-yan Wang and Chen-zhong Cao.Substituent E ects on 13C NMR and 1H NMR Chemical Shifts of CH=N in Multi-substituted Benzylideneanilines[J].Chinese Journal of Chemical Physics,2018,31(1):45-51. |
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| Authors: | Chao-tun Cao Lin-yan Wang and Chen-zhong Cao |
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| Institution: | School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Key Laboratory of Theoretical Organic Chemistry and Function Molecule (Hunan University of Science and Technology), Ministry of Education, Hunan Provincial University Key Laboratory of QSAR/QSPR, Xiangtan 411201, China,School of Materials Science and Engineering, Hunan University of Science and Technology, Xiangtan 411201, China and School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Key Laboratory of Theoretical Organic Chemistry and Function Molecule (Hunan University of Science and Technology), Ministry of Education, Hunan Provincial University Key Laboratory of QSAR/QSPR, Xiangtan 411201, China |
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| Abstract: | |
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| Keywords: | Multi-substituted benzylideneanilines Substituent effects 1H NMR chemical shifts 13C NMR chemical shifts Substituent specific cross-interaction effect |
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