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The sequence to hydrogenate coronene cations: A journey guided by magic numbers
Stéphanie Cazaux1,2, Leon Boschman1,3, Nathalie Rougeau4
1Kapteyn Astronomical Institute, University of Groningen, P.O. Box 800, NL 9700 AV Groningen, The Netherlands.
Hydrogenation of coronene cations follows specific pathways, creating "magic numbers" of attached hydrogen atoms. This finding is key for hydrogen storage, electronics, and understanding cosmic hydrogen formation.
Area of Science:
- Physical Chemistry
- Astrochemistry
- Materials Science
Background:
- Hydrogen attachment to carbonaceous surfaces is crucial for hydrogen storage, electronics, and cosmic H2 formation.
- Polycyclic Aromatic Hydrocarbons (PAHs) are key molecules in astrochemistry and materials science.
Purpose of the Study:
- To investigate the hydrogenation pathways of coronene cations.
- To understand the origin of experimentally observed magic numbers in PAH hydrogenation.
- To explore the implications for cosmic H2 formation and hydrogen storage.
Main Methods:
- Experimental observation of magic numbers in coronene cation hydrogenation.
- Quantum chemistry calculations to elucidate reaction pathways and transition barriers.
Main Results:
- Hydrogenation of coronene cations follows a site-specific sequence.
- Magic numbers of 5, 11, and 17 attached hydrogen atoms were reproduced computationally.
- High transition barriers were identified for further hydrogenation beyond magic numbers.
Conclusions:
- The site-specific hydrogenation sequence explains the observed magic numbers in coronene cations.
- PAH hydrogenation provides insights into the abundance of aromatic and aliphatic carbon in space.
- Understanding PAH hydrogenation is vital for assessing the role of PAHs in cosmic H2 production.
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