Photoinduced polycyclic aromatic hydrocarbon dehydrogenation: Molecular hydrogen formation in dense PDRs

TL;DR

This study explores how photodissociation of PAHs in dense PDRs can significantly contribute to molecular hydrogen formation, offering an alternative to traditional dust grain catalysis.

Contribution

It demonstrates that PAH photodissociation, especially in ovalene, can produce H2 at rates comparable to dust grain processes, highlighting a previously underappreciated formation pathway.

Findings

Ovalene PAH cation releases H2 at rates similar to dust grain formation.

Photodissociation of PAHs can significantly contribute to H2 formation in dense PDRs.

H2 formation via PAH photodissociation is molecule-dependent, with ovalene being most efficient.

Abstract

The physical and chemical conditions in photodissociation regions (PDRs) are largely determined by the influence of far ultraviolet radiation. Far-UV photons can efficiently dissociate molecular hydrogen, a process that must be balanced at the HI/H2 interface of the PDR. Given that reactions involving hydrogen atoms in the gas phase are highly inefficient under interstellar conditions, H2 formation models mostly rely on catalytic reactions on the surface of dust grains. Additionally, molecular hydrogen formation in polycyclic aromatic hydrocarbons (PAHs) through the Eley-Rideal mechanism has been considered as well, although it has been found to have low efficiency in PDR fronts. In a previous work, we have described the possibility of efficient H2 release from medium to large sized PAHs upon photodissociation, with the exact branching between H-/H2-loss reactions being molecule dependent. Here we investigate the astrophysical relevance of this process, by using a model for the photofragmentation of PAHs under interstellar conditions. We focus on three PAHs cations (coronene, ovalene and circumcoronene), which represent three possibilities in the branching of atomic and molecular hydrogen losses. We find that, for ovalene (H2-loss dominated) the rate coefficient for H2 formation reaches values of the same order as H2 formation in dust grains. This result suggests that this hitherto disregarded mechanism can account, at least partly, for the high level of molecular hydrogen formation in dense PDRs.