PAHs

PAHs contain up to 10-20% of all the carbon in the ISM.
PAHs (in both neutral and cation form) are thought to be the carriers of AIBs.
Interstellar environments: low density, lack of collisions.
Molecular hydrogen (H2) is the smallest and most abundant molecule in the universe.

Words:

peripheral: (abj & n) outer edge

Papers

[2021 - ACS Earth Space Chem. - Andrew L. Mattioda et.al.]: Formation of Complex Organic Molecules (COMs) from Polycyclic Aromatic Hydrocarbons (PAHs): Implications for ISM IR Emission Plateaus and Solar System Organics
- Top-down synthesis of COMs through irradiative processing (fragmentation) of PAHs
[2020 - JCTC - Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as Case Study]
- Double hybrid functional is not best functional for describing electron densities in open-shell PAHs
[2020 - A&A Jennifer Noble et.al.]: Influence of ice structure on the soft UV photochemistry of PAHs embedded in solid water
- UV irradiation on mixtures of PAHs and ice -> oxygenated PAH
[2020 - JPCC]:Infrared Resonant Vibrationally Induced Restructuring of Amorphous Solid Water
- Simulating irradiation in MD with an oscillating electric field
[2020 - ACS Earth Space Chem. - Gustavo A. Cruz-Diaz et.al.]: Polycyclic Aromatic Hydrocarbons and Dust Particle Surface Interactions: Catalytic Hydrogenation of Polycyclic Aromatic Hydrocarbon Molecules under Vacuum Conditions
- PAH reactions on TiO2 dust grain
[2020 - JCP - Chenbiao et.at.]: Inelastic scattering dynamics of naphthalene and 2-octanone on highly oriented pyrolytic graphite
- Naphthalene can function as the sole energy and carbon source for a type of terrestrial bacteria
[2020 - Mol. Astrophys. - Paul M Mayer et.al.]: How does successive hydrogen addition to PAH ions impact their unimolecular chemistry?
- HPAHs -(CID)-> H, CH3, C2H4, C3H5 losses, further investigated by B3LYP
- Small PAH ions (14 carbon atoms in this study) is more efficient in producing small hydrocarbons instead of H2
- HPAHs with even number of hydrogen atoms can also produce C2H4 if one hydrogen migrates to a proper edge site
- RRKM-derived barriers for C2H4 loss: HHP(1.9 eV, having THP impurity), OHA(2.03 eV, 60% yield), THP(2.17 eV, 55% yield)
[2018 - Chem. Phys. Lett. - Tao Chen et.al.]: From planes to bowls: Photodissociation of the bisanthenequinone cation (two CO loss from PAH, pentagon formation)
[2015 - JPCA - Pristine Graphene-Based Catalysis: Significant Reduction of the Inversion Barriers of Adsorbed and Confined Corannulene, Sumanene, and Dibenzo[a,g]corannulene]
[2012 - JACS - A Benchmark Comparison of σ/σ and π/π Dispersion: the Dimers of Naphthalene and Decalin, and Coronene and Perhydrocoronene]

Specific PAHs

Indene C9H8

[2021 - Sci. Adv. - Mebel, Kaiser et. al.]: Low-temperature gas-phase formation of indene in the interstellar medium.

Coronene C24H12

[2020 - ApJ - Mridusmita Buragohain et.al.]: A symmetric and compact molecule which has great photostability against UV radiation.

Oxygen-PAHs

[2018 - ACS Earth Space Chem. - Marco d’Ischia et.al.]:Solid State Photochemistry of Hydroxylated Naphthalenes on Minerals: Probing Polycyclic Aromatic Hydrocarbon Transformation Pathways under Astrochemically-Relevant Conditions
- Oxygen-PAHs generated by irradiation of PAHs in water–ice analogues at 14 K

Corannulene

[2015 - JPCA - Pristine Graphene-Based Catalysis: Significant Reduction of the Inversion Barriers of Adsorbed and Confined Corannulene, Sumanene, and Dibenzo[a,g]corannulene]
- Inversion from bowl-shape to dome-shape by periodic DFT implementations in Gaussian09 using 7x7 1L/2L graphene

Soot

[2020 - ACS Earth Space Chem.- Alexander Laskin et.al.]: Molecular Composition and the Optical Properties of Brown Carbon Generated by the Ethane Flame
- "Brown Carbon" generated from hydrocarbon fuel combustion
[2014 - PCCP - Jeremy Cain, Hai Wang et.al.]: Molecular characterization of organic content of soot along the centerline of a coflow diffusion flame
[2004 - PCCP - Reaction mechanism of soot formation in flames]: aromatic formation, soot nucleation, coagulation, surface growth.
The soot nucleation pathway is either physical or chemical PAH dimerization.