Contribution Contributed Talk
The hydrogenation of PAH cations: A journey guided by stability and magic numbers.
- Ms. stephanie CAZAUX
- Ms. stephanie CAZAUX (Kapteyn Institute, Groningen, The Netherlands)
- Mr. Leon BOSCHMAN (Kapteyn Institute, The Netherlands)
- Prof. Nathalie ROUGEAU (Univeriste Paris Sud)
- Dr. Thoams SCHLATHOLTER (ZIAM, University of Groningen, The Netherlands)
- Prof. Ronnie HOEKSTRA (ZIAM, University of Groningen, The Netherlands)
- Dominique TEILLET BILLY (ISMO, Universite Paris Sud, France)
- Dr. Geerts REITSMA (MBI, Berlin, DE)
- Dr. Sabine MORISSET (Ismo, Universite Paris Sud, France)
- Prof. Marco SPAANS (Kapteyn Institute, Groningen, The Netherlands)
The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research fields and technologies such as hydrogen storage for transportation but also for the formation of cosmic H2 and the identification of stable PAHs in space. For coronene cations as prototypical Polycyclic Aromatic Hydrocarbon (PAH), the existence of magic numbers upon hydrogenation was uncovered experimentally. Quantum chemistry calculations show that hydrogenation follows a site-specific sequence leading to the appearance of stable cations having 5, 11, or 17 hydrogen atoms attached, exactly the magic numbers found in the experiments. For these stable closed-shell cations, further hydrogenation requires appreciable structural changes associated with a high transition barrier. The occurrence of stable superhydrogenated PAHs is fundamental to identify PAHs in space and assess their contribution to the formation of H2.