荧光素类化合物电子光谱性质的理论研究  

作　　者：王桂荣[1] 张远[2] 

机构地区：[1]徐州医学院药学院,221004 [2]扬州大学化学化工学院,225009

出　　处：《中国科技信息》2009年第10期52-53,共2页China Science and Technology Information

摘　　要：采用密度泛函理论(DFT)方法研究了不同类型的取代基对荧光素的电子吸收光谱以及溶剂效应对氨基荧光素的电子吸收光谱的影响。结果表明,独立苯环上不同类型取代基对其光谱的最大吸收峰位置影响较小,而溶剂效应对其光谱影响较大。OFT method was employed to study the substituent effect on the electronic spectrum of the fluorescein, and electronic spectrum investigation on solvent effect for aminofluorescein. The results showed that the different types of subsftituent almost have no influence on the position of maximum absorption peak of fluorescein, but the effect of solvent has great effects on the electronic spectrum of aminofluoresecein.

关 键 词：密度泛函 荧光素 氨基荧光素 溶剂效应 电子吸收光谱 

分 类 号：O621.1[理学—有机化学]