羟基吡啶酮衍生物用作文物硫铁化合物脱除螯合剂的分析

Analysis of hydroxypyridone derivatives used as chelating agents for removal of iron sulfides from cultural relics

硫铁化合物是出土出水文物中普遍存在,又危害很大的难溶盐,为此,本研究对温和条件下1,2-二甲基-3-羟基-4-吡啶酮脱除硫化亚铁可行性进行了研究。在此实验研究基础上,采用Gaussian09软件,在B3LYP/6-31G*水平上对不同的羟基吡啶酮衍生物分子结构进行了分析。分析结果表明,羟基吡啶酮的单官能团氨羧化衍生物N-(α-氨基丁酸基)-3-羟基-4-吡啶酮有可能是一种比1,2-二甲基-3-羟基-4-吡啶酮更为有效的出土出水文物硫铁化合物络合脱除剂。

Iron sulfide is a common and harmful insoluble salt in unearthed cultural relics.Therefore,the feasibility of removing ferrous sulfide using 1,2-dimethyl-3-hydroxy-4-pyridone was studied under mild conditions.On the basis of this experimental study,the molecular structures of different hydroxypyridone derivatives were analyzed at B3LYP/6-31G*level by Gaussian 09 software.The results show that N-α-aminobutyryl-3-hydroxy-4-pyridone,a mono-functional group hydroxypyridone,may be a more effective chelating agent than 1,2-dimethyl-3-hydroxy-4-pyridone.