Astronomy and Astrophysics – Astronomy
Scientific paper
May 2009
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009apj...697..601w&link_type=abstract
The Astrophysical Journal, Volume 697, Issue 1, pp. 601-609 (2009).
Astronomy and Astrophysics
Astronomy
2
Ism: Abundances, Ism: Molecules
Scientific paper
Although molecular oxygen, O2, has long been thought to be present in interstellar environments, it has only been tentatively detected toward one molecular cloud. The fractional abundance of O2 determined from these observations is well below that predicted by astrochemical models. Given the difficulty of O2 observations from ground-based telescopes, identification of a molecule that could be used as a tracer of O2 in interstellar environments would be quite useful. To this end, we have undertaken a collaborative examination of HO2+ in an attempt to evaluate the feasibility of its detection in interstellar clouds. We have conducted high-level ab initio calculations of its structure to obtain its molecular parameters. The reaction responsible for the formation of HO2+ is nearly thermoneutral, and so a careful analysis of its thermochemistry was also required. Using the Active Thermochemical Tables approach, we have determined the most accurate values available to date for the proton affinities of O2 and H2, and the enthalpy, Gibbs energy, and equilibrium constant for the reaction H3+ + O2 → HO2+ + H2. We find that while this reaction is endothermic by 50 ± 9 cm-1 at 0 K, its equilibrium is shifted toward HO2+ at the higher temperatures of hot cores. We have examined the potential formation and destruction pathways for HO2+ in interstellar environments. Combining this information, we estimate the HO2+ column density in dense clouds to be ~109 cm-2, which corresponds to line brightness temperatures of <=0.2 mK. If our results prove correct, HO2+ is clearly not a detectable interstellar molecule.
McCall Benjamin J.
Ruscic Branko
Widicus Weaver Susanna L.
Woon David E.
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