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Issue 27, 2024

Laser-induced fragmentation of coronene cations

Abstract

Polycyclic aromatic hydrocarbons are an important component of the interstellar medium of galaxies and photochemistry plays a key role in the evolution of these species in space. Here, we explore the photofragmentation behaviour of the coronene cation (C24H12˙+) using time-of-flight mass spectrometry. The experiments show photodissociation fragmentation channels including the formation of bare carbon clusters (Cn˙+) and hydrocarbon chains (CnHx+). The mass spectrum of coronene is dominated by peaks from C11˙+ and C7H+. Density functional theory was used to calculate relative energies, potential dissociation pathways, and possible structures for relevant species. We identify 6-6 → 5-7 ring isomerisation as a key step in the formation of both the bare carbon clusters and the hydrocarbon chains observed in this study. We present the dissociation mechanism outlined here as a potential formation route for C60 and other astrochemically relevant species.

Graphical abstract: Laser-induced fragmentation of coronene cations

Supplementary files

Article information

Article type
Paper
Submitted
28 Mar 2024
Accepted
06 May 2024
First published
23 May 2024

Phys. Chem. Chem. Phys., 2024,26, 18557-18570

Laser-induced fragmentation of coronene cations

S. Panchagnula, J. Kamer, A. Candian, H. R. Hrodmarsson, H. Linnartz, J. Bouwman and A. G. G. M. Tielens, Phys. Chem. Chem. Phys., 2024, 26, 18557 DOI: 10.1039/D4CP01301H

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