Low energy electron impact resonances of anthracene probed by 2D photoelectron imaging of its radical anion.

Low energy electron impact resonances of anthracene probed by 2D photoelectron imaging of its radical anion.
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DOI:
10.1063/5.0007470
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发表时间:
2020-05
期刊:
The Journal of chemical physics
影响因子:
--
通讯作者:
Golda Mensa-Bonsu;A. Lietard;D. Tozer;J. Verlet
Golda Mensa-Bonsu;A. Lietard;D. Tozer;J. Verlet
中科院分区:
其他
文献类型:
--
作者:
Golda Mensa-Bonsu;A. Lietard;D. Tozer;J. Verlet

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蒽的电子-分子共振探测相应的自由基阴离子的二维光电子成像高达3.7 eV的连续。在光电子能谱和角分布中都观察到一些共振,并且大多数共振显示出清晰的自动脱离动力学。使用密度泛函理论计算分配的共振,并与现有的文献是一致的。直接和自动分离之间的竞争,以及共振之间的内部转换的签名,观察到一些共振。对于12 B2 g共振,一小部分人口恢复的基础电子状态,证明了电子发射。基态电子态的恢复提供了在电子-分子反应中产生阴离子的途径;然而,发生这种反应的能量表明,蒽阴离子不能通过这种共振在星际介质中通过电子捕获形成。
Electron-molecule resonances of anthracene were probed by 2D photoelectron imaging of the corresponding radical anion up to 3.7 eV in the continuum. A number of resonances were observed in both the photoelectron spectra and angular distributions, and most resonances showed clear autodetachment dynamics. The resonances were assigned using density functional theory calculations and are consistent with the available literature. Competition between direct and autodetachment, as well as signatures of internal conversion between resonances, was observed for some resonances. For the 12B2g resonance, a small fraction of population recovers the ground electronic state as evidenced by thermionic emission. Recovery of the ground electronic state offers a route of producing anions in an electron-molecule reaction; however, the energy at which this occurs suggests that anthracene anions cannot be formed in the interstellar medium by electron capture through this resonance.