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用自编的PPP-SCF-CI法微机程序对六种自合成的多芳环吡啶鎓化合物的吸收光谱和荧光峰波长进行了计算,得到了与实验值相当一致的计算结果,并用计算得到的信息对实验值进行了分析。
The absorption spectrum and fluorescence peak wavelength of the six self-synthesized polyaromatic ring pyridinium compounds were calculated by the self-designed PPP-SCF-CI method. The calculated results are in good agreement with the experimental data. Information on the experimental values were analyzed.