A multielectron wave-packet propagation method was used to calculate the electronic decay of oxygen and fluorine 2 s vacancies for a group of trifluoroalkyl alcohols, HOC n H (2 n −1) F 3 , with n between 1 and 5. Whether ionizing O2 s or F2 s orbitals, it is shown that an electron can be emitted non-locally from the opposite terminus of the molecule. The decay of the O(2 s −1 ) state is found to be about 2–3 times faster than that of the F(2 s −1 ), but in both cases the process takes only a few femtoseconds, demonstrating a highly efficient energy transfer through the carbon bridge. A comparison to the previously reported non-local decay in linear difluorocumulenone systems shows that the non-linearity of the trifluoroalkyl alcohols does not appear to dramatically influence the decay efficiency. These results shed light onto the nature of the scaling of electron correlation and op...

中文翻译：

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通过非线性碳链的电子衰减

使用多电子波包传播方法来计算一组n为1至5的三氟烷基醇HOC n H（2 n -1）F 3的氧和氟2 s空位的电子衰减。 s或F2 s轨道，表明电子可以从分子的相反末端非局部发射。发现O（2 s -1）状态的衰减比F（2 s -1）的衰减快约2-3倍，但是在两种情况下，该过程仅需花费几飞秒的时间，这表明效率很高能量通过碳桥传递。与先前报道的线性二氟枯烯酮系统中的非局部衰减的比较表明，三氟烷基醇的非线性似乎并未显着影响衰减效率。