标题： 1-丙醇低能电子诱导解离的研究 显示英文标题

标题： Study of low-energy electron-induced dissociation of 1-Propanol

摘要： 1-丙醇通过解离电子附着产生的碎片化已在3.5至16 eV的能量范围内进行了研究。 四种不同的离子种类被识别出来：$\text{H}^{-}$，$\text{O}^{-}$， $\text{OH}^{-}$，和$\text{C}_{3}\text{H}_{7}\text{O}^{-}$。 $\text{OH}^{-}$离子在8.7 eV附近表现出一个显著的峰，同时在5.6 eV附近有一个小的隆起。 互补通道导致了$\text{H}^{-}$和$\text{C}_{3}\text{H}_{7}\text{O}^{-}$离子的形成。 这两个离子在6 eV附近表现出一个尖锐的峰，并在7至12 eV之间有宽泛的重叠共振。 本研究中观察到的不同解离碎片的离子产率，与之前研究的醇类相比，表明在解离电子附着过程中醇类存在位点特异性碎片化。 为了更深入地理解解离路径， 进行了密度泛函理论~(DFT)计算，揭示了每个通道的阈值能量。 这些阈值能量与实验不确定性很好地吻合。 显示英文摘要

摘要： The fragmentation of 1-propanol resulting from dissociative electron attachment has been explored across an energy range of 3.5 to 16 eV. Four distinct ion species are identified: $\text{H}^{-}$, $\text{O}^{-}$, $\text{OH}^{-}$, and $\text{C}_{3}\text{H}_{7}\text{O}^{-}$. The $\text{OH}^{-}$ ion exhibited a prominent peak near 8.7 eV, along with a small hump near 5.6 eV. Complementary channels led to the formation of the $\text{H}^{-}$ and $\text{C}_{3}\text{H}_{7}\text{O}^{-}$ ions. Both these two ions exhibit a sharp peak near 6 eV and broad overlapping resonances between 7 to 12 eV. The observed ion yields of distinct dissociation fragments in this study, when compared with those from previously studied alcohols, suggest site-specific fragmentation of alcohols during dissociative electron attachment. To gain a deeper understanding of the dissociation pathways, Density Functional Theory~(DFT) calculations were conducted, revealing the threshold energies for each channel. These threshold energies aligned well with the experimental uncertainties.