QUANTUM CHEMISTRY STUDIES OF ORGANOPHOSPHORUS CORROSION INHIBITORS
含P有机缓蚀剂缓蚀性能的量子化学研究

Some quantum chemical parameters of Methyl triphenylphosphonium bromide?Carbethoxy methyl triphenylphosphonium bromide?Vinyl triphenylphosphonium bromide?(1,3-Dioxalan-2-yl methyl)triphenylphosphonium bromide were obtained by means of PM3 semi-empirical quantum chemical calculation method of MOPAC 6.0 programs package.It is found that the corrosion current have certain relation to the net charge on fragrant ring of molecular and the the energy of highest occupied molecular orbital(EHOMO ).The possible mechanism of inhibition was also been discussed in terms of the interaction between metal ions and inhibitors.