Low-energy electron scattering from aminoacetonitrile using the R-matrix method

Irabati Chakraborty, Bobby Antony

公開日: 2025/9/23

Abstract

Aminoacetonitrile occupies a prime importance in the interface between astrochemistry and prebiotic chemistry. Its detection in the ISM establishes it as part of the organic inventory of star-forming regions, while its role as a glycine precursor highlights its significance for origins-of-life scenarios. In this work, electron scattering from aminoacetonitrile has been studied using the R-matrix method in the low-energy range from 0 to 10 eV. The calculations were carried out within the C_s point group using static-exchange (SE), static-exchange plus polarization (SEP), and configuration interaction (CI) models, with two basis sets (6-311G* and cc-pVTZ). Various scattering observables such as elastic, excitation, momentum transfer, and differential cross sections were examined. Since aminoacetonitrile is a prebiotically relevant molecule, these findings provide valuable insight into electron-driven processes in complex organic systems and form a theoretical foundation for future work on electron-induced reactivity in prebiotic and astrophysical environments.

Low-energy electron scattering from aminoacetonitrile using the R-matrix method | SummarXiv | SummarXiv