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。
Electrochemical behavior of nitrobenzene, 1, 3-dinitrobenzene, 1-methyk4-nitro-benzene and 1- ehloro-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.
出处
《理化检验（化学分册）》
CAS
CSCD
北大核心
2006年第9期740-742,共3页
Physical Testing and Chemical Analysis(Part B:Chemical Analysis)
关键词
电化学行为
反应活性
硝基苯衍生物
理论计算
Electrochemical behavior
Reactive activity
Derivatives of nitrobenzene
Theoratical calculation
