Electron-driven processes for perfluoronitriles

IF 1.5 4区物理与天体物理 Q3 OPTICS

The European Physical Journal D Pub Date : 2024-05-21 DOI:10.1140/epjd/s10053-024-00858-y

Nirav Thakkar, Dhaval Chauhan, Smruti Parikh, Chetan Limbachiya

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Abstract

We report the results of the study on electron-driven molecular processes for the perfluoronitriles, C₃F₅N and C₄F₇N for a wide energy range, from the ionisation potential to 5000 eV. These compounds have been shown to have extremely low global warming potential, suggesting they could be useful in gas discharges and plasma reactors. Calculations of ionisation cross sections (Q_ion) are made using the complex scattering potential-ionisation contribution (CSP-ic) method and are shown to be in good agreement with the available data. Elastic (Q_el), inelastic (Q_inel) and total (Q_T) cross sections are computed through spherical complex optical potential formalism. We have recently developed two-parameter semi-empirical method (2p-SEM) for large molecules with 55 < Z < 95 to report Q_el and Q_T. This work is a maiden report of Q_el and Q_T for C₃F₅N and C₄F₇N. We present various correlation studies between the cross sections and target parameters, leading to a prediction of polarizability. We have derived dielectric constant using number density and molar mass and have correlated Q_ion (max) with dielectric constant.

Graphical abstract

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全氟腈的电子驱动过程

我们报告了从电离电位到 5000 eV 的宽能量范围内全氟氮化物 C3F5N 和 C4F7N 的电子驱动分子过程的研究结果。这些化合物已被证明具有极低的全球变暖潜势，表明它们可用于气体放电和等离子反应堆。电离截面（Qion）的计算采用了复杂散射势-电离贡献（CSP-ic）方法，结果表明与现有数据十分吻合。弹性截面（Qel）、非弹性截面（Qinel）和总截面（QT）是通过球形复光学势形式计算得出的。我们最近针对 55 < Z < 95 的大分子开发了双参数半经验方法（2p-SEM），以报告 Qel 和 QT。本研究首次报告了 C3F5N 和 C4F7N 的 Qel 和 QT。我们介绍了横截面和目标参数之间的各种相关研究，从而预测了极化率。我们利用数量密度和摩尔质量得出了介电常数，并将 Qion（最大值）与介电常数相关联。

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来源期刊

The European Physical Journal D 物理-物理：原子、分子和化学物理

CiteScore

3.10

自引率

11.10%

发文量

213

审稿时长

3 months

期刊介绍： The European Physical Journal D (EPJ D) presents new and original research results in: Atomic Physics; Molecular Physics and Chemical Physics; Atomic and Molecular Collisions; Clusters and Nanostructures; Plasma Physics; Laser Cooling and Quantum Gas; Nonlinear Dynamics; Optical Physics; Quantum Optics and Quantum Information; Ultraintense and Ultrashort Laser Fields. The range of topics covered in these areas is extensive, from Molecular Interaction and Reactivity to Spectroscopy and Thermodynamics of Clusters, from Atomic Optics to Bose-Einstein Condensation to Femtochemistry.