【摘要】 本文在30℃,1.0mol·dm^-3HCl溶液中用电化学方法测定了异喹啉及其羟基、羧基衍生物对Fe电极的缓蚀效率.并用HMO和CNDO/2方法计算了这些化合物的量子化学参数.发现异喹淋及其衍生物分子中氮原子净电荷和π净电荷越小,缓蚀性能越好;随着这些化合物异喷喹啉环中吡啶环上原子净电荷之和的增大,缓蚀性能提高;吡啶环亲核前沿电荷与缓蚀效率有很好的线性关系提出了这类缓蚀剂分子可能呈平卧方式吸附于金属电极表面,从而起缓蚀作用.预测了五个新分子的缓蚀性能.更多还原

【Abstract】 The corrosion-inhibiting efficiencies of isoquinoline and its hydroxyl and carboxyl de -rivatives on Fe electrode in HCl solution have been determined with electrochemical method, their structure parameters were obtained by means of HMO and CNDO / 2 methods. It is found that the lees the net charge and π charge of N atom has, the more the inhibition efficiency is. As the net charge sum of six atoms in pyridine ring increases, the efficiency increases. It is possible that the molecules of the inhibitors were adsorbed on the surface of Fe electrode in horizontal state.更多还原