| 四种硝基苯的电化学行为及其反应活性的理论计算 |
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| 引用本文： | 宋远志,支三军,孙小军.四种硝基苯的电化学行为及其反应活性的理论计算[J].理化检验(化学分册),2006,42(9):740-742. |
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| 作者姓名： | 宋远志 支三军 孙小军 |
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| 作者单位： | 淮阴师范学院,化学系,淮安,223300 |
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| 摘 要： | 在滴汞电极上研究了硝基苯、对硝基甲苯、间二硝基苯及2，4-二硝基氯苯的电化学行为，并用量子理论对四种硝基苯化合物的反应活性进行了预测，理论与试验结果基本一致，据此提出了预测分子的电化学活性的方法。
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| 关 键 词： | 电化学行为 反应活性 硝基苯衍生物 理论计算 |
| 文章编号： | 1001-4020（2006）09-0740-03 |
| 收稿时间： | 2005-05-08 |
| 修稿时间： | 2005年5月8日 |
ELECTROCHEMICAL BEHAVIOR OF 4 NITROBENZENE DERIVATIVES AND THEORATICAL CALCULATION OF THEIR REACTIVE ACTIVITY |
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| SONG Yuan-zhi,ZHI San-jun,SUN Xiao-jun.ELECTROCHEMICAL BEHAVIOR OF 4 NITROBENZENE DERIVATIVES AND THEORATICAL CALCULATION OF THEIR REACTIVE ACTIVITY[J].Physical Testing and Chemical Analysis Part B:Chemical Analgsis,2006,42(9):740-742. |
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| Authors: | SONG Yuan-zhi ZHI San-jun SUN Xiao-jun |
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| Abstract: | Electrochemical behavior of nitrobenzene,1,3-dinitrobenzene,1-methyl-4-nitro-benzene and 1-chloro-2,4-dinitrobenzene were studied at the dropping mercury electrode.And at the same time,the reactive activity(including charge distribution and molecular energy) of these 4 derivatives were calculated theoratically by the quantum theory.It was found that the results obtained by the electrochemical experiments were in consistency with those obtained by theoratical calculation.Based on these facts,a method of predication of electrochemical activity of molecules of some compounds by theoratical calculation was proposed. |
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| Keywords: | Electrochemical behavior Reactive activity Derivatives of nitrobenzene Theoratical calculation |
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