4种喹诺酮类药物的荧光光谱研究

Study on Fluorescence Spectra of Four Quinolones

采用量子化学半经验方法RHF/AM1、RHF/PM3,对荧光法测定的4种喹诺酮类药物进行构型优化,经振动分析,未出现虚频率,在此基础上用RHF/CIS方法分别计算了它们的荧光光谱,所得结果与实验值基本符合.

The fluorescence spectra of the four quinolones have been studied. Geometric configurations of the four quinolones have been optimized by semiempirical methods RHF/AM1, RHF/PM3 of quantum chemistry. There is no imaginary frequency in vibrational analysis. Their fluorescence spectra have also been calculated by RHF/CIS. The results of calculation are essentially consistent with experimental values.