Electron and positron impact ionization cross sections of neutral molecular species dissociating from C4F7N and its mixtures

IF 3 3区化学 Q3 CHEMISTRY, PHYSICAL

Computational and Theoretical Chemistry Pub Date : 2025-03-03 DOI:10.1016/j.comptc.2025.115148

D. Geetha, Dhanoj Gupta

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Abstract

The electron and positron impact ionization cross sections are reported for neutral fragments originating from C₄F₇N and their mixture with air, CO₂, and N₂ using the Binary-Encounter Bethe (BEB) method and its variants, such as BEB-W and BEB-B. The neutral targets studied are HF, CO, CO₂, COF₂, CHF₃, CF₃, CF₄, C₂F₄, C₂F₆, C₃F₆, C₃F₈, C₄F₆, C₄F₈, C₄F₁₀, CN, HCN, CFN, C₂N₂, C₂FN, C₂F₃N, C₃F₃N, C₃F₄N, C₃F₅N molecules. The results for most of the targets for electron imapct ionization compare well with the available experimental and theoretical results. However, for most of the molecules, the estimates of positron impact ionization are the first attempt. The correlation of the maximum ionization cross section for both electrons and positrons with the polarizability and the number of electrons of the target gave a good correlation fit. The cross section data presented in this article are important for C₄F₇N plasma.

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从C4F7N及其混合物解离的中性分子种的电子和正电子影响电离截面

使用双遭遇Bethe （BEB）方法及其变体，如BEB- w和BEB- b，报道了源自C4F7N及其与空气、CO2和N2混合的中性碎片的电子和正电子撞击电离截面。研究的中性靶有HF、CO、CO2、COF2、CHF3、CF3、CF4、C2F4、C2F6、C3F6、C3F8、C4F6、C4F8、C4F10、CN、HCN、CFN、C2N2、C2FN、C2F3N、C3F3N、C3F4N、C3F5N分子。大多数电子碰撞电离靶的结果与现有的实验和理论结果比较好。然而，对于大多数分子，正电子碰撞电离的估计是第一次尝试。电子和正电子的最大电离截面与目标的极化率和电子数的相关性很好。本文给出的截面数据对C4F7N等离子体具有重要意义。

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来源期刊

Computational and Theoretical Chemistry CHEMISTRY, PHYSICAL-

CiteScore

4.20

自引率

10.70%

发文量

331

审稿时长

31 days

期刊介绍： Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter.