Is HO{sup 2 sub +} a detectable interstellar molecule?

• Published in: The Astrophysical journal 2009-05, Vol.697 (1 ; May 20, 2009)
• Main Authors: Widicus Weaver, S. L., Woon, D. E., Ruscic, B., McCall, B. J., Chemical Sciences and Engineering Division, Univ. of Illinois
• Format: Article
• Language: English
• Subjects: ABUNDANCE; BRIGHTNESS; CLOUDS; DETECTION; ENTHALPY; OXYGEN; PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; PROTONS; TELESCOPES
• ISSN: 0004-637X; 1538-4357
• DOI: 10.1088/0004-637X/697/1/601

Although molecular oxygen, O{sub 2}, has long been thought to be present in interstellar environments, it has only been tentatively detected toward one molecular cloud. The fractional abundance of O{sub 2} determined from these observations is well below that predicted by astrochemical models. Given the difficulty of O{sub 2} observations from ground-based telescopes, identification of a molecule that could be used as a tracer of O{sub 2} in interstellar environments would be quite useful. To this end, we have undertaken a collaborative examination of HO{sub 2}{sup +} 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 HO{sub 2}{sup +} 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 O{sub 2} and H{sub 2}, and the enthalpy, Gibbs energy, and equilibrium constant for the reaction H{sub 3}{sup +} + O{sub 2} {yields} HO{sub 2}{sup +} + H{sub 2}. We find that while this reaction is endothermic by 50 {+-} 9 cm{sup -1} at 0 K, its equilibrium is shifted toward HO{sub 2}{sup +} at the higher temperatures of hot cores. We have examined the potential formation and destruction pathways for HO{sub 2}{sup +} in interstellar environments. Combining this information, we estimate the HO{sub 2}{sup +} column density in dense clouds to be {approx}10{sup 9} cm{sup -2}, which corresponds to line brightness temperatures of {le} 0.2 mK. If our results prove correct, HO{sub 2}{sup +} is clearly not a detectable interstellar molecule.