Erratum: Thermodynamics of reactions of ClHg and BrHg radicals with atmospherically abundant free radicals (Atmospheric Chemistry and Physics (2012) 12 (10271-10279))

摘要

To determine if BrO or ClO could bind to Hg(0), we characterized compounds with structural formulae HgBrO and HgClO using the same approach as described in our original paper. The computed Hg–XO bond lengths were ～3.6? and ～3.8? for X=Br and Cl, respectively, which are more characteristic of van der Waals complexes than covalent bonds. ThebondenergiesatCCSD(T)/aVTZwerenegative,indicatingextremelyweakbonding.BalabanovandPeterson(2013) also obtained results suggestive of van der Waals molecules. Field studies (Obrist et al., 2011; Tas et al., 2011) and experiments (Rao?e and Ariya, 2004; Spicer et al., 2005) had suggested that BrO can initiate Hg(0) oxidation. By contrast,the present work suggests that BrO cannot initiate gas-phase oxidation of Hg(0).