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