Chemistry, Physical
; Physics, Atomic, Molecular & Chemical
WOS研究方向:
Chemistry
; Physics
英文摘要:
The oxywater cation (H2OO+), previously shown to form barrierlessly in the gas phase from water cations and atomic oxygen, is proposed here potentially to possess a(2)A" <-(4)A" excitation leading to the H-2 center dot center dot center dot O-2(+) complex. This complex could then easily decompose into molecular hydrogen and the molecular oxygen cation. The present quantum chemical study shows that the necessary electronic transition takes place in the range of 1.92 eV (645 nm), in the orange-red range of the visible and solar spectrum, and dissociation of the complex only requires 5.8 kcal/mol (0.25 eV). Such a process for the abiotic, gas phase formation of O-2 would only need to be photocatalyzed by visible wavelength photons. Hence, such a process could produce O-2 at the mesosphere/stratosphere boundary as climate change is driving more water into the upper atmosphere, in the comet 67P/Churyumov-Gerasimenko where surprisingly high levels of O-2 have been observed, or at gas-surface (ice) interfaces. Published under license by AIP Publishing.
1.Univ Mississippi, Dept Chem & Biochem, University, MS 38677 USA 2.Univ Penn, Dept Earth & Environm Sci Philadelphia, Philadelphia, PA 19104 USA 3.St Edwards Univ, Dept Chem, Austin, TX 78704 USA
Recommended Citation:
Fortenberry, Ryan C.,Trabelsi, Tarek,Westbrook, Brent R.,et al. Molecular oxygen generation from the reaction of water cations with oxygen atoms[J]. JOURNAL OF CHEMICAL PHYSICS,2019-01-01,150(20)