第一个合成染料——苯胺紫是在1856年由威廉·H·珀金(W·H·Perkin)发现的。差不多在100年之后,即1953年,帕里瑟(Pariser)和帕尔(Parr)以及波普尔(Pople)独立地创立了一种新的、革命性的分子轨道理论方法,即现在所谓的PPP-MO法。化学上这两块看似乎风马牛不相及的里程碑,都在表明理论化学是怎样为化学工业技术做出重大贡献的。在现代化学工业中,染料化学一直起着举足轻重的作用。在我们的生活中染料和颜料可以说是最为广泛的合成有机物质。继珀金的这一首次发现之后,染 The first synthetic dye, aniline violet, was discovered in 1856 by W.H. Perkin. Almost 100 years later, in 1953 Pariser and Parr and Pople founded a new, revolutionary approach to orbit theory that is now called PPP -MO method. Chemically, these two seemingly irrelevant milestones indicate how theoretical chemistry has made a significant contribution to the chemical industry. In the modern chemical industry, dye chemistry has always played a decisive role. Dyes and pigments are the most widely used synthetic organic matter in our lives. Following the first discovery of Perkin, dyed