Join a webinar exploring the delivery mechanisms of Polycyclic Aromatic Hydrocarbons (PAHs) in the early solar system, focusing on forsterite's role as a potential transport medium. Learn about the quantum chemical modeling of different forsterite surfaces and their interactions with various PAH molecules, from naphthalene to benzo-coronene. Discover how these organic compounds, which comprise approximately 5% of elemental carbon in the interstellar medium, interact with pristine and doped mineral surfaces through physical and chemical bonding. Examine the theoretical findings that suggest larger PAHs form strong interactions with forsterite surfaces, potentially explaining their transport mechanism in the early solar system. Gain insights from applied quantum chemist Dario Campisi's research on PAHs as interstellar catalysts and their role in prebiotic chemistry, drawing from his work as part of the EuroPAH Marie Skłodowska-Curie network.
Overview
Syllabus
Dario Campisi
Where do I come from?
Acknowledgement
Polycyclic Aromatic Hydrocarbons (PAHs are everywhere)
PAHs in the ISM (Characteristic PAHs structures in the ISM)
Molecular Astrophysics (Study PAHs to understand the universe)
PAHs as interstellar catalysts
Physical Chemistry
Density Functional Theory (Schrödinger equation contains all information to explain the physics of an unexplored system)
Astrophysical Implications (PAHs might be hydrogenated in the ISM)
Magic Numbers = HydroPAHs Mass spectra show the presence of PAHs with different
Hydrogenation Sequence (Central ring is the first to be hydrogenated)
Energy Barriers Explain Magic Numbers (Solo carbons are highly reactive)
Molecular Hydrogen Formation (Defective PAHs are more efficient catalysts)
Summary
What is Forsterite? (From ISM to solar system)
Theoretical Methods (From gas to solid state, need to use different codes)
Bulk Properties (Optimizing the Unit Cell of Forsterite)
Surface Stability (010) is the most stable forsterite surface
Creation of a Supercell (Creation of a large unit cell for hosting big PAH)
Defective 010 -Forsterite Surfaces (In nature the minerals contain defects)
Interaction on the Surface (The coordination between PAHs and Mg atoms leads to distorted structures)
Interaction with the Surface (PAH coordinates with Mg and transition metals on the surface)
to Bond or not to Bond?
Conclusions
Thank You!
Reminder!
Coming Up Next Week...
Taught by
AVS Knights
