| 间位取代与双对位取代氮苄叉苯胺还原电位中取代基效应 |
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| 引用本文： | 王琳艳,曹朝暾,曹晨忠.间位取代与双对位取代氮苄叉苯胺还原电位中取代基效应[J].化学物理学报,2016,29(2):260-264. |
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| 作者姓名： | 王琳艳 曹朝暾 曹晨忠 |
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| 作者单位： | 中南大学化学化工学院, 长沙 410083;湖南科技大学化学化工学院, 湘潭 411201;湖南科技大学, 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,湖南科技大学化学化工学院, 湘潭 411201;湖南科技大学, 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,中南大学化学化工学院, 长沙 410083;湖南科技大学化学化工学院, 湘潭 411201;湖南科技大学, 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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| 基金项目： | This work was supported by the National Natural Science Foundation of China (No.21272063), the Scientific Research Fund of Hunan Provincial Education Department (No.14C0466), and the Natural Science Foundation of Hunan (No.14JJ3112). |
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| 摘 要： | 合成了49个3,4''/4,3''/3,3''-二取代氮苄叉苯胺化合物,采用循环伏安法测得了其还原电位,并对取代基在还原电位中的影响进行了研究. 得到了一个四参数(取代基X的Hammett参数σ(X)、取代基Y的Hammett参数σ(Y)、取代基X的激发态取代基参数σCCex和交叉相互作用项ΔσCCex)的最优回归方程. 结果表明含间位取代基的氮苄叉苯胺还原电位中的取代基效应与双对位取代的氮苄叉苯胺还原电位中的取代基效应是不同的. 对于3,4''/4,3''/3,3''-二取代氮苄叉苯胺来说,取代基的诱导效应和共轭效应的作用可以合并,所以在回归方程中应用了σ(X) 和σ(Y),另外,取代基X和Y间的交叉相互作用项也起到了重要作用. 相比于4,4''-二取代的氮苄叉苯胺,取代基X对3,4''/4,3''/3,3''-二取代氮苄叉苯胺还原电位的贡献要小一些,Y 对3,4''/4,3''/3,3''-二取代氮苄叉苯胺还原电位的贡献要大一些. 总之,不管是4,4''-二取代氮苄叉苯胺还是3,4''/4,3''/3,3''-二取代氮苄叉苯胺,取代基X对其还原电位的贡献大于Y的贡献.
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| 关 键 词： | 3 4''/4 3''/3 3''-二取代氮苄叉苯胺 取代基效应 还原电位 循环伏安法 激发态取代基参数 |
| 收稿时间： | 2015/8/13 0:00:00 |
| 修稿时间： | 2015/10/30 0:00:00 |
Substituent Effects on Reduction Potentials of Meta-substituted and Para-substituted Benzylideneanilines |
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| Lin-yan Wang,Chao-tun Cao and Chen-zhong Cao.Substituent Effects on Reduction Potentials of Meta-substituted and Para-substituted Benzylideneanilines[J].Chinese Journal of Chemical Physics,2016,29(2):260-264. |
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| Authors: | Lin-yan Wang Chao-tun Cao and Chen-zhong Cao |
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| Institution: | School of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China;School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201, China;Key Laboratory of Theoretical Organic Chemistry and Function Molecule, Ministry of Education, Hu-nan Provincial University Key Laboratory of QSAR/QSPR, Hunan University of Science and Technology, Xiangtan 411201, China,School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201, China;Key Laboratory of Theoretical Organic Chemistry and Function Molecule, Ministry of Education, Hu-nan Provincial University Key Laboratory of QSAR/QSPR, Hunan University of Science and Technology, Xiangtan 411201, China and School of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China;School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201, China;Key Laboratory of Theoretical Organic Chemistry and Function Molecule, Ministry of Education, Hu-nan Provincial University Key Laboratory of QSAR/QSPR, Hunan University of Science and Technology, Xiangtan 411201, China |
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| Abstract: | |
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| Keywords: | 3 4''/4 3''/3 3''-substituted benzylideneanilines Substituent effects Electrochemical reduction potentials Cyclic voltammetry Excited-state substituent constant |
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