Ni镀液有机添加剂结构与整平性能的关系

STUDIES ON RELATION BETWEEN STRUCTURE OF ORGANIC ADDITIVES AND THEIR LEVELING PROPERTY FOR Ni ELECTROPLATING

用CNDO/2方法计算了二醇类、芳香类添加剂分子的轨道能级等量子化学数据,发现这些添加剂的整平性能与其前线轨道能级有很好的相关规律。对吸附模型和整平机理进行了深入探讨。根据轨道对称性讨论了它们在金属表面的吸附键型。通过对2个化合物的计算和实验,进一步证明所得相关规律的正确性。

The orbital energies and the charge densities of additive molecules 1,4-butanediol, 2 - butyne -1,4- diol, 2 - butene-1,4 - diol, nicotinamide, isonicotinamide and quinoline etc. for Ni electroplating were calculated with CNDO/2 method. It was found that there is a correlation between the frontier orbital energies of these molecules and there leveling property. The adsorption model and leveling mechanism were studied. According to orbital symmetry, the adsorptive bonding type of the additives on Ni surface was discussed. In addition, the molecules of oxalicacid and 1, 4 -butane diacid were calculated which are predicted to have good leveling and proved by experiments.