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首页> 外文期刊>The Journal of Chemical Physics >Electron attachment to molecules in a cluster environment
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Electron attachment to molecules in a cluster environment

机译:簇环境中电子与分子的附着

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摘要

Low-energy dissociative electron attachment (DEA) to the CF _2Cl _2 and CF _3Cl molecules in a water cluster environment is investigated theoretically. Calculations are performed for the water trimer and water hexamer. It is shown that the DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster, and that this cross section grows as the number of water molecules in the cluster increases. This growth is explained by a trapping effect that is due to multiple scattering by water molecules while the electron is trapped in the cluster environment. The trapping increases the resonance lifetime and the negative ion survival probability. This confirms qualitatively existing experiments on electron attachment to the CF _2Cl _2 molecule placed on the surface of H _2O ice. The DEA cross sections are shown to be very sensitive to the position of the attaching molecule within the cluster and the orientation of the electron beam relative to the cluster.
机译:从理论上研究了水团簇环境中CF _2Cl _2和CF _3Cl分子的低能离解电子附着(DEA)。对水三聚体和水六聚体进行计算。结果表明,当附着分子嵌入水簇中时,DEA截面会大大增强,并且随着簇中水分子数量的增加,截面会逐渐增大。这种增长可以用俘获效应来解释,这是由于电子在团簇环境中被俘获时,水分子多次散射所致。捕集增加了共振寿命和负离子存活率。这定性地证实了现有的关于将电子附着到置于H _2O冰表面的CF _2Cl _2分子的实验。示出DEA横截面对簇中附着分子的位置和电子束相对于簇的取向非常敏感。

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