【摘要】 本文对量子化学方法应用于分析化学的有机显色反应性能作一综述,重点从量子化学在生色理论、在试剂络合性能研究中、在试剂质子化及其酸碱平衡和存在形式研究中以及在取代基效应中的应用四个方面进行了论述,重点介绍我国在这一方面的工作。认为用量子化学方法预测试剂和络合物的某些性质成为可能。参考文献60篇。更多还原

【Abstract】 A review with 60 references is presented on the application of quantum chemistry for the reactivities of analytical reagents. Theoretical studies of quantum chemistry may make it possible to predict the analytical properties of some reagents and coordination compounds. The main points under discussion are;(1) the absorption spectra of reagents and their complexes; (2) the properties of complex composed of rare earth elements and reagents ;(3) the effect of substitute groups in reagent ; (4) protonation, dissociation, acid-base equilibrium and their existence form in aqeous solution更多还原