Laser-induced fragmentation of coronene cations.

Autor: Panchagnula, Sanjana, Kamer, Jerry, Candian, Alessandra, Hrodmarsson, Helgi R., Linnartz, Harold, Bouwman, Jordy, Tielens, Alexander G. G. M.
Zdroj: Physical Chemistry Chemical Physics (PCCP); 7/21/2024, Vol. 26 Issue 27, p18557-18570, 14p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index