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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Low-Energy Electron Capture by 6-Aza-2-thiothymine:Investigations by Electron Attachment and Electron Transmission Spectroscopies
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Low-Energy Electron Capture by 6-Aza-2-thiothymine:Investigations by Electron Attachment and Electron Transmission Spectroscopies

机译：6-氮杂-2-硫代胸腺嘧啶的低能电子捕获：电子附着和电子透射光谱学的研究

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摘要

The interaction of low-energy(0-10 eV)electrons with 6-aza-2-thiothymine is investigated in the gas phase by studies of sharp structure in the total electron scattering cross section and by mass analysis of the stable or long-lived negative ions produced by electron attachment.The most efficient fragmentation process,occurring at 0.15 eV,involves the ejection of a closed-shell neutral molecule(CH3CN).Ab initio calculations support our proposal that this process leads to ring closure to form a stable four-member heterocyclic anion.A long-lived parent anion with an approximate lifetime of 75 microseconds is observed near zero electron energy,and evidence is also seen for the slow decay of this anion by ejection of CH3CN.Near 3.3 eV,an anion of m/e 41 is produced that is likely to be a metastable valence anion of bent CH3CN,but the dipole-bound anion cannot be ruled out.
机译：通过研究总电子散射截面中的尖锐结构并通过对稳定或长寿命的质量分析，研究了低能（0-10 eV）电子与6-氮杂-2-硫代胸腺嘧啶的相互作用。电子附着产生的负离子。最有效的裂解过程发生在0.15 eV，涉及到闭壳中性分子（CH3CN）的射出。从头算计算支持我们的提议，即该过程导致闭环形成稳定的四价-成员杂环阴离子。在零电子能量附近观察到长寿命的母体阴离子，其寿命约为75微秒，并且还观察到通过喷射CH3CN缓慢降解该阴离子的证据。在3.3 eV附近，m的阴离子/ e 41可能是弯曲的CH3CN的亚稳态价阴离子，但不能排除偶极结合的阴离子。

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