Issue 30, 2024

Bond breaking and making in mixed clusters of fullerene and coronene molecules induced by keV-ion impact

Abstract

We have performed classical molecular dynamics simulations of 3 keV Ar + (C24H12)n(C60)m collisions where (n,m) = (3,2),(1,4),(9,4) and (2,11). The simulated mass spectra of covalently bound reaction products reproduce the main features of the corresponding experimental results reported by Domaracka et al., Phys. Chem. Chem. Phys., 2018, 20, 15052–15060. The present results support their conclusion that molecular growth is mainly driven by knockout where individual atoms are promptly removed in Rutherford type scattering processes. The so formed highly reactive fragments may then bind with neighboring molecules in the clusters producing a rich variety of growth products extending up to sizes containing several hundreds of atoms, and here we show examples of such structures. In addition, knocked out atoms may be absorbed such that e.g. hydrogenated coronene and fullerene molecules are formed.

Graphical abstract: Bond breaking and making in mixed clusters of fullerene and coronene molecules induced by keV-ion impact

Supplementary files

Article information

Article type
Paper
Submitted
18 3 2024
Accepted
08 7 2024
First published
10 7 2024
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2024,26, 20340-20347

Bond breaking and making in mixed clusters of fullerene and coronene molecules induced by keV-ion impact

N. Florin, A. Domaracka, P. Rousseau, M. Gatchell and H. Zettergren, Phys. Chem. Chem. Phys., 2024, 26, 20340 DOI: 10.1039/D4CP01147C

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