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六氯苯的电子离解吸附。

Dissociative Electron Attachment to Hexachlorobenzene.

机构信息

Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991, Moscow, Russia.

Institute of Molecule and Crystal Physics -, Subdivision of the Ufa Federal Research Centre of the Russian Academy of Sciences, Prospekt Octyabrya, 151, 450075, Ufa, Russia.

出版信息

Chemphyschem. 2022 May 18;23(10):e202200038. doi: 10.1002/cphc.202200038. Epub 2022 Mar 30.

Abstract

Gas phase molecules of hexachlorobenzene (C Cl ) were investigated by means of dissociative electron attachment spectroscopy (DEAS). Three channels of molecular negative ions decay have been identified: abstraction of Cl and Cl as well as electron detachment (τ ∼250 μs at 343 K). All three channels exhibit temperature dependence. The adiabatic electron affinity estimated using a simple but typically accurate Arrhenius model (EA =1.6-1.9 eV) turns out to be much higher than the quantum-chemical predictions (EA =0.9-1.0 eV). We discuss the possible reasons behind the observed discrepancy.

摘要

用电子亲合能谱法(DEAS)研究了六氯苯(C6Cl6)的气相分子。已鉴定出分子负离子三种衰减通道:Cl 和 Cl 的夺取以及电子脱离(343 K 时 τ ∼250 μs)。所有三个通道都表现出温度依赖性。使用简单但通常准确的阿伦尼乌斯模型(EA =1.6-1.9 eV)估算的绝热电子亲合能远高于量子化学预测(EA =0.9-1.0 eV)。我们讨论了观察到的差异背后的可能原因。

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