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用INDO系列方法对苯甲酰苯胺激发态质子转移反应进行了理论研究,求得了基态和激发态反应的位能面、势垒过渡态和荧光位移.对整个反应的机理和应用前景进行了探讨,有关化合物的光谱与实验结果较好地符合.
Using INDO series of methods to study the proton transfer reaction of benzoanilide excited state, the potential energy surface, barrier transition state and fluorescence shift of ground state and excited state were obtained.The mechanism and application prospect of the whole reaction were discussed, The spectra of the compounds are in good agreement with the experimental results.