H3+ in irradiated protoplanetary disks: Linking far-ultraviolet radiation and hot water vapor

Abstract: The likely JWST detection of vibrationally excited H3+ emission in the irradiated disk d203-506, reported by Schroetter et al., raises the question of whether cosmic-ray ionization is enhanced in disks within clustered star-forming regions, or if alternative mechanisms contribute to H3+ formation and excitation. We present a detailed model of the photodissociation region (PDR) component of a protoplanetary disk-comprising the outer disk surface and the photoevaporative wind-exposed to strong external far-ultraviolet (FUV) radiation. We investigate key gas-phase reactions involving excited H2 that lead to the formation of H3+ in the PDR, including detailed state-to-state dynamical calculations of reactions H2 + HOC+ -> H3+ + CO and H2 + H+ -> H2+ + H. We also consider the effects of photoionization of vibrationally excited H2(v>=4), a process that has not previously been included in disk models. We find that these FUV-driven reactions dominate the formation of H3+ in the PDR of strongly irradiated disks, largely independently of cosmic-ray ionization. The predicted H3+ abundance peaks at x(H3+)~10^-8, coinciding with regions where HOC+ is also abundant. The high abundances of H3+ and HOC+ are ultimately linked to the strength of the external FUV field (G0), the presence of C+, and an enhanced reservoir of hot H2O. The predicted H3+ column densities (~10^13 cm^-2) are consistent with the presence of H3+ in the PDR of irradiated disks. We also find that formation pumping, resulting from exoergic reactions between excited H2 and HOC+, drive the vibrational excitation of H3+. We expect this photochemistry to be highly active in disks where G0 > 10^3. The H3+ formation pathways studied here may also be relevant in the inner disk region (near the host star), in exoplanetary ionospheres, and in the early Universe.