Protonation of anion radicals of 1,2-,1,3- and 1,4-dinitrobenzenes in dichloromethane in the temperature range 0, 5, 10 and 15 °C has been investigated by cyclic voltammetric method. Glassy carbon electrode and hanging mercury drop electrode are used as working electrodes. Benzoic acid and salicylic acid are used as protonating agents. Homogeneous rate constant is calculated by using Nicholson and Shain equation. The position of nucleophilic attack in dinitrobenzenes has been investigated by calculation of charge densities using MNDO and SCF-UHF molecular orbital methods. The heterogeneous rate constant ks,h for the first reduction process in dinitrobenzenes is determined by digital simulation of the cyclic voltammograms.
在0、5、10和15°C温度范围内,使用循环伏安法研究了1,2-、1,3-和1,4-
二硝基苯的阴离子自由基在
二氯甲烷中的质子化过程。
玻璃碳电极和悬
汞滴电极被用作工作电极。
苯甲酸和
水杨酸被用作质子化试剂。通过使用Nicholson和Shain方程计算了均相速率常数。通过使用MNDO和SCF-UHF分子轨道方法计算电荷密度,研究了
二硝基苯中亲核攻击的位置。通过循环伏安图的数字模拟,确定了
二硝基苯第一次还原过程的非均相速率常数ks,h。