Electron-induced vibrational excitation and dissociative electron attachment in methyl formate
Electron-induced vibrational excitation and dissociative electron attachment in methyl formate
复制标题
甲酸甲酯中电子诱导的振动激发和离解电子附着
DOI：
10.1039/c9cp05165a
复制
发表时间：
2020
影响因子：
3.3
通讯作者：
Fedor, J.
中科院分区：
文献类型：
--
作者：
Kumar T. P., Ragesh;Kočišek, J.;Bravaya, K.;Fedor, J.
我们探讨了与甲酸甲酯 HCOOCH3 的低能电子碰撞，重点关注其共振态。在实验上，我们（i）使用二维电子能量损失光谱来获取有关振动激发的信息，并（ii）报告绝对解离电子附着横截面。电子散射光谱揭示了长程电子-分子相互作用引起的阈值效应和以 2.1 eV 为中心的明显 π* 共振。这种共振引起解离电子附着到三个不同的阴离子通道中，最强的一个是甲酸根阴离子的产生。理论上，我们使用复吸收势方法结合多态多参考微扰理论来表征该谐振态，预测其位置和宽度与实验非常吻合。
We probe the low-energy electron collisions with methyl formate HCOOCH3, focusing on its resonant states. Experimentally, we (i) use two-dimensional electron energy loss spectroscopy to gain information about the vibrational excitation and (ii) report the absolute dissociative electron attachment cross sections. The electron scattering spectra reveal both the threshold effects due to the long-range electron–molecule interaction and a pronounced π* resonance centered around 2.1 eV. This resonance gives rise to dissociative electron attachment into three different anionic channels, the strongest one being the production of the formate anion. Theoretically, we characterize this resonant state using the complex absorbing potential approach combined with multistate multireference perturbation theory, which predicts its position and width in excellent agreement with the experiment.