English

Model of Charge Transfer Collisions Between $C_{60}$ and Slow Ions

Chemical Physics 2022-08-17 v1

Abstract

A semi-classical model describing the charge transfer collisions of C60C_{60} fullerene with different slow ions has been developed to explain available experimental data. This data reveals multiple Breit-Wigner like peaks in the cross sections, with subsequent peaks of reactive cross sections decreasing in magnitude. Calculations of the charge transfer probabilities and cross sections for quasi-resonant and reactive collisions have been performed using semi-empirical potentials of interaction between fullerenes and ion projectiles. All computations have been carried out with realistic wave functions for C60C_{60}'s valence electrons derived from the simplified jellium model. The quality of these electron wave functions have been successfully verified by comparing theoretical calculations and experimental data on the small angle cross sections of resonant C60+C60+C_{60}+ C_{60}^+ collisions. Using the semi-empirical potentials to describe resonant scattering phenomena in C60C_{60} collisions with ions and Landau-Zener charge transfer theory, we calculated theoretical cross sections for various C60C_{60} charge transfer and fragmentation reactions which agree with experiments.

Keywords

Cite

@article{arxiv.2205.12395,
  title  = {Model of Charge Transfer Collisions Between $C_{60}$ and Slow Ions},
  author = {Jonathan Smucker and Mitchell Bredice and Robin Côté and John A. Montgomery and Michael Rozman and Hossein R Sadeghpour and Daniel Vrinceanu and Vasili Kharchenko},
  journal= {arXiv preprint arXiv:2205.12395},
  year   = {2022}
}

Comments

9 pages, 11 figures