Abstract

Elastic, ionization and total cross section for electron scattering from pyrrole and its isomers, viz. 2H-pyrrole, 3H-pyrrole, cycloprapanecarbonitrile, E-2 butenenitrile and Z-2 butenenitrile are reported in this article. These cross sections are calculated using the spherical complex optical potential formalism and the complex scattering potential-ionization contribution method in the energy range from the ionization threshold of the molecule to 5 keV. The geometric screening correction is used to reduce the overestimation of cross section due to overlap in charge distribution among atoms or group of atoms in the molecule. The isomeric effect through cross section values are also investigated in this work. The cross section data reported in this paper are key input for modeling Titan’s atmosphere due to the presence of pyrroles and abundant electrons in its medium.

Graphical abstract

中文翻译：

---

吡咯及其异构体的电子诱导散射截面

摘要

从吡咯及其异构体散射电子的弹性，电离和总截面，即。本文报道了2H-吡咯，3H-吡咯，环戊腈，E-2丁腈和Z-2丁腈。使用分子的电离阈值到5 keV的能量范围内的球形复杂光学势形式和复杂散射势电离贡献方法来计算这些横截面。几何屏蔽校正用于减少由于分子中原子或原子组之间的电荷分布重叠而导致的横截面过高估计。通过横截面值的同分异构效应也在这项工作中进行了研究。

图形概要