近年来,在寻求光度分析用的灵敏度高、选择性好的新有机显色试剂时,不仅可从合成及测试的大量实验工作中获得不少十分宝贵的第一手材料,而且还可凭借现代量子化学基本原理及概念、按照所提出的简化模型、根据经验参数进行近似计算,已能得到一些试剂研究的传统方法所不能获得的重要信息。例如:显色试剂电子光谱的最大吸收峰波长及其与被测金属离 In recent years, when looking for high sensitivity and good selectivity of new organic chromogenic reagents for photometric analysis, not only can a lot of very valuable first-hand materials be obtained from a great deal of experimental work on synthesis and testing, but also by virtue of modern The basic principles and concepts of quantum chemistry, based on the proposed simplified model and approximate calculation based on empirical parameters, have yielded important information that some traditional methods of reagent research can not obtain. For example: chromogenic reagent electron spectrum of the maximum absorption peak wavelength and the measured metal from