Fluorescence excitation spectra of jet-cooled HgBr radicals

Lipson, R. H.; Jordan, Kevin; Bascal, H. A.

doi:10.1063/1.464259

Cited by 6 publications

(1 citation statement)

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“…There is only limited experimental information on the structure and stability of HgO and HgBr. , Fortunately, the structures and stabilities of the Hg(II) dihalides are better known, from both experiment and calculation . There have been a number of calculations of the properties of Hg compounds within the theoretical inorganic literature. , In a recent, very accurate study 15e the gas-phase species HgO was found to be stable with respect to Hg 0 and ground state O by only 4 kcal/mol, compared to an experimental value of 53 ± 10 kcal/mol 12c…”

Section: Introductionmentioning

confidence: 99%

Calculation of the Energetics for Oxidation of Gas-Phase Elemental Hg by Br and BrO

Tossell

2003

J. Phys. Chem. A

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Recently, depletion of gas-phase elemental Hg has been observed by several research groups after polar sunrise in the atmospheric boundary layer in Arctic regions. At the same time Hg compounds have been observed to accumulate in the polar snowpack. Several different oxidation reactions involving gas-phase Br and BrO have been hypothesized to explain this process. Molecular quantum mechanical methods are here applied to evaluate the energetics of such reactions, in both the gas phase and aqueous solution. The formation of HgO from the reaction of Hg0 and BrO in the gas phase is found to be endothermic, but HgBr and HgBr2 can form exothermically through the oxidation of Hg0 by either Br atom radicals or Br2. The instability of HgO has the same cause as the low stability of HgBr compared to HgBr2, i.e., the high first IP of Hg. The calculations also indicate that HgBr2 is stable photolytically, while gas-phase HgO and HgBr are decomposed by visible light.

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